CID 5319874

1-o-p-coumaroylglycerol

Structural Information

Molecular Formula
C12H14O5
SMILES
C1=CC(=CC=C1/C=C/C(=O)OCC(CO)O)O
InChI
InChI=1S/C12H14O5/c13-7-11(15)8-17-12(16)6-3-9-1-4-10(14)5-2-9/h1-6,11,13-15H,7-8H2/b6-3+
InChIKey
YUQSZTOOHLGKGG-ZZXKWVIFSA-N
Compound name
2,3-dihydroxypropyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

238.08412 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 152.4
[M+Na]+ 261.07334 158.0
[M-H]- 237.07684 151.7
[M+NH4]+ 256.11794 167.8
[M+K]+ 277.04728 155.3
[M+H-H2O]+ 221.08138 146.5
[M+HCOO]- 283.08232 171.0
[M+CH3COO]- 297.09797 183.0
[M+Na-2H]- 259.05879 154.4
[M]+ 238.08357 152.5
[M]- 238.08467 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe