CID 21881614

Alpha-monobenzoyl glycerol

Structural Information

Molecular Formula
C10H12O4
SMILES
C1=CC=C(C=C1)C(=O)C(C(CO)O)O
InChI
InChI=1S/C10H12O4/c11-6-8(12)10(14)9(13)7-4-2-1-3-5-7/h1-5,8,10-12,14H,6H2
InChIKey
NHBBMIUHRSFGLG-UHFFFAOYSA-N
Compound name
2,3,4-trihydroxy-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

3743
Patents

196.07356 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 142.2
[M+Na]+ 219.06278 151.4
[M+NH4]+ 214.10738 148.2
[M+K]+ 235.03672 148.5
[M-H]- 195.06628 141.0
[M+Na-2H]- 217.04823 145.8
[M]+ 196.07301 142.8
[M]- 196.07411 142.8
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