CID 10704

2-methylbenzamide

Structural Information

Molecular Formula
C8H9NO
SMILES
CC1=CC=CC=C1C(=O)N
InChI
InChI=1S/C8H9NO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
XXUNIGZDNWWYED-UHFFFAOYSA-N
Compound name
2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

8017
Patents

135.06842 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 126.4
[M+Na]+ 158.05764 138.7
[M+NH4]+ 153.10224 135.3
[M+K]+ 174.03158 132.9
[M-H]- 134.06114 129.1
[M+Na-2H]- 156.04309 133.6
[M]+ 135.06787 128.8
[M]- 135.06897 128.8
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