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

21
Patents

228.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 148.9
[M+Na]+ 251.06786 156.4
[M-H]- 227.07136 153.4
[M+NH4]+ 246.11246 165.5
[M+K]+ 267.04180 152.4
[M+H-H2O]+ 211.07590 142.3
[M+HCOO]- 273.07684 170.2
[M+CH3COO]- 287.09249 185.4
[M+Na-2H]- 249.05331 153.5
[M]+ 228.07809 148.1
[M]- 228.07919 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