CID 29245

18773-63-2

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C(=C1)CO)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H12O3/c15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14(16)17/h1-8,15H,9H2,(H,16,17)
InChIKey
SPNSKYPCPQHXRA-UHFFFAOYSA-N
Compound name
2-[2-(hydroxymethyl)phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

228.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 148.9
[M+Na]+ 251.067858 156.4
[M-H]- 227.071364 153.4
[M+NH4]+ 246.112463 165.5
[M+K]+ 267.041798 152.4
[M+H-H2O]+ 211.075900 142.3
[M+HCOO]- 273.076841 170.2
[M+CH3COO]- 287.092491 185.4
[M+Na-2H]- 249.053306 153.5
[M]+ 228.07809142 148.1
[M]- 228.07918858 148.1
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

patents stripe