CID 4147605

2-(hydroxymethyl)-n-methylbenzamide

Structural Information

Molecular Formula
C9H11NO2
SMILES
CNC(=O)C1=CC=CC=C1CO
InChI
InChI=1S/C9H11NO2/c1-10-9(12)8-5-3-2-4-7(8)6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChIKey
BFJCVRGMNCURHB-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

165.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.6
[M+Na]+ 188.06820 145.9
[M+NH4]+ 183.11280 142.4
[M+K]+ 204.04214 140.5
[M-H]- 164.07170 136.3
[M+Na-2H]- 186.05365 140.8
[M]+ 165.07843 136.5
[M]- 165.07953 136.5
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