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]+ 428.15514 192.3
[M+Na]+ 450.13708 198.0
[M-H]- 426.14058 194.1
[M+NH4]+ 445.18168 198.0
[M+K]+ 466.11102 196.1
[M+H-H2O]+ 410.14512 180.2
[M+HCOO]- 472.14606 197.7
[M+CH3COO]- 486.16171 223.1
[M+Na-2H]- 448.12253 190.4
[M]+ 427.14731 186.7
[M]- 427.14841 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.