CID 99176

O-(hydroxymethyl)benzamide

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=CC=C(C(=C1)CO)C(=O)N
InChI
InChI=1S/C8H9NO2/c9-8(11)7-4-2-1-3-6(7)5-10/h1-4,10H,5H2,(H2,9,11)
InChIKey
RULWBFLPUAFFGY-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

265
Patents

151.06332 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.6
[M+Na]+ 174.052538 137.1
[M-H]- 150.056044 131.8
[M+NH4]+ 169.097143 149.6
[M+K]+ 190.026478 135.0
[M+H-H2O]+ 134.060580 124.2
[M+HCOO]- 196.061521 153.1
[M+CH3COO]- 210.077171 175.0
[M+Na-2H]- 172.037986 135.1
[M]+ 151.06277142 127.4
[M]- 151.06386858 127.4
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