CID 131751961

(s)-2-hydroxy-2-phenylacetonitrile o-[b-d-apiosyl-(1->2)-b-d-glucoside]

Structural Information

Molecular Formula
C19H25NO10
SMILES
C1C(C(C(O1)OC2C(C(C(OC2OC(C#N)C3=CC=CC=C3)CO)O)O)O)(CO)O
InChI
InChI=1S/C19H25NO10/c20-6-11(10-4-2-1-3-5-10)28-17-15(14(24)13(23)12(7-21)29-17)30-18-16(25)19(26,8-22)9-27-18/h1-5,11-18,21-26H,7-9H2
InChIKey
UXSSAGLYQCOTML-UHFFFAOYSA-N
Compound name
2-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.14786 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.155136 192.3
[M+Na]+ 450.137078 198.0
[M-H]- 426.140584 194.1
[M+NH4]+ 445.181683 198.0
[M+K]+ 466.111018 196.1
[M+H-H2O]+ 410.145120 180.2
[M+HCOO]- 472.146061 197.7
[M+CH3COO]- 486.161711 223.1
[M+Na-2H]- 448.122526 190.4
[M]+ 427.14731142 186.7
[M]- 427.14840858 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.