CID 339292

2-acetamidobenzyl alcohol

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC(=O)NC1=CC=CC=C1CO
InChI
InChI=1S/C9H11NO2/c1-7(12)10-9-5-3-2-4-8(9)6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChIKey
RQJHQXMAFMCVHL-UHFFFAOYSA-N
Compound name
N-[2-(hydroxymethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

165.07898 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.9
[M+Na]+ 188.068198 141.0
[M-H]- 164.071704 136.5
[M+NH4]+ 183.112803 153.7
[M+K]+ 204.042138 139.1
[M+H-H2O]+ 148.076240 128.3
[M+HCOO]- 210.077181 157.7
[M+CH3COO]- 224.092831 178.0
[M+Na-2H]- 186.053646 139.9
[M]+ 165.07843142 133.0
[M]- 165.07952858 133.0
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