CID 127

4-hydroxyphenylacetic acid

Structural Information

Molecular Formula
C8H8O3
SMILES
C1=CC(=CC=C1CC(=O)O)O
InChI
InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey
XQXPVVBIMDBYFF-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

396
References

13618
Patents

152.04735 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 128.4
[M+Na]+ 175.03657 136.3
[M-H]- 151.04007 129.8
[M+NH4]+ 170.08117 148.2
[M+K]+ 191.01051 134.3
[M+H-H2O]+ 135.04461 123.5
[M+HCOO]- 197.04555 150.2
[M+CH3COO]- 211.06120 170.2
[M+Na-2H]- 173.02202 134.3
[M]+ 152.04680 127.6
[M]- 152.04790 127.6
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