CID 69253

3-methylbenzamide

Structural Information

Molecular Formula
C8H9NO
SMILES
CC1=CC(=CC=C1)C(=O)N
InChI
InChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
WGRPQCFFBRDZFV-UHFFFAOYSA-N
Compound name
3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

3548
Patents

135.06842 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 125.8
[M+Na]+ 158.05764 133.8
[M-H]- 134.06114 129.5
[M+NH4]+ 153.10224 147.3
[M+K]+ 174.03158 132.1
[M+H-H2O]+ 118.06568 120.4
[M+HCOO]- 180.06662 150.6
[M+CH3COO]- 194.08227 175.5
[M+Na-2H]- 156.04309 131.9
[M]+ 135.06787 124.1
[M]- 135.06897 124.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.