CID 22865

N-(3-amino-4-methylphenyl)acetamide

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=C(C=C(C=C1)NC(=O)C)N
InChI
InChI=1S/C9H12N2O/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey
RBQWGHBZCHFUQU-UHFFFAOYSA-N
Compound name
N-(3-amino-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

501
Patents

164.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 134.7
[M+Na]+ 187.08418 142.4
[M-H]- 163.08768 138.6
[M+NH4]+ 182.12878 155.0
[M+K]+ 203.05812 140.5
[M+H-H2O]+ 147.09222 128.8
[M+HCOO]- 209.09316 160.1
[M+CH3COO]- 223.10881 184.1
[M+Na-2H]- 185.06963 139.7
[M]+ 164.09441 132.9
[M]- 164.09551 132.9
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