CID 74624

N-methylsalicylamide

Structural Information

Molecular Formula
C8H9NO2
SMILES
CNC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C8H9NO2/c1-9-8(11)6-4-2-3-5-7(6)10/h2-5,10H,1H3,(H,9,11)
InChIKey
BCKXMQIYWWTZDP-UHFFFAOYSA-N
Compound name
2-hydroxy-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

471
Patents

151.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.2
[M+Na]+ 174.052538 136.8
[M-H]- 150.056044 132.0
[M+NH4]+ 169.097143 149.6
[M+K]+ 190.026478 135.1
[M+H-H2O]+ 134.060580 123.8
[M+HCOO]- 196.061521 153.4
[M+CH3COO]- 210.077171 175.0
[M+Na-2H]- 172.037986 135.8
[M]+ 151.06277142 128.0
[M]- 151.06386858 128.0
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