CID 571965

1-deoxy-3,5-o-benzylidene-d-altritol

Structural Information

Molecular Formula
C13H18O5
SMILES
CC(C1C(C(OC(O1)C2=CC=CC=C2)CO)O)O
InChI
InChI=1S/C13H18O5/c1-8(15)12-11(16)10(7-14)17-13(18-12)9-5-3-2-4-6-9/h2-6,8,10-16H,7H2,1H3
InChIKey
XOOHEIDAEYBFIR-UHFFFAOYSA-N
Compound name
4-(1-hydroxyethyl)-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11542 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.122696 157.9
[M+Na]+ 277.104638 162.9
[M-H]- 253.108144 161.7
[M+NH4]+ 272.149243 170.1
[M+K]+ 293.078578 162.6
[M+H-H2O]+ 237.112680 151.3
[M+HCOO]- 299.113621 171.9
[M+CH3COO]- 313.129271 188.1
[M+Na-2H]- 275.090086 160.6
[M]+ 254.11487142 156.0
[M]- 254.11596858 156.0
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.