CID 95698

13436-87-8

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC=C(C(=C1)C(=O)NCO)O
InChI
InChI=1S/C8H9NO3/c10-5-9-8(12)6-3-1-2-4-7(6)11/h1-4,10-11H,5H2,(H,9,12)
InChIKey
LJZYAHCUAUNANB-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(hydroxymethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

30
Patents

167.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.7
[M+Na]+ 190.047458 139.7
[M-H]- 166.050964 134.0
[M+NH4]+ 185.092063 151.6
[M+K]+ 206.021398 137.7
[M+H-H2O]+ 150.055500 127.2
[M+HCOO]- 212.056441 155.5
[M+CH3COO]- 226.072091 174.6
[M+Na-2H]- 188.032906 138.8
[M]+ 167.05769142 131.0
[M]- 167.05878858 131.0
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