CID 69274

4-methylbenzamide

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

14
References

8378
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

literature stripe

Patent stripe

patents stripe