CID 1217

31932-87-3

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=CC(=C1)O)C(C(=O)O)N
InChI
InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)
InChIKey
DQLYTFPAEVJTFM-UHFFFAOYSA-N
Compound name
2-amino-2-(3-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

239
Patents

167.05824 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 133.5
[M+Na]+ 190.047458 140.2
[M-H]- 166.050964 134.3
[M+NH4]+ 185.092063 151.9
[M+K]+ 206.021398 138.3
[M+H-H2O]+ 150.055500 128.1
[M+HCOO]- 212.056441 154.6
[M+CH3COO]- 226.072091 175.7
[M+Na-2H]- 188.032906 137.2
[M]+ 167.05769142 130.2
[M]- 167.05878858 130.2
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