CID 459410

2-(methylphenylamino)acetamide

Structural Information

Molecular Formula
C9H12N2O
SMILES
CN(CC(=O)N)C1=CC=CC=C1
InChI
InChI=1S/C9H12N2O/c1-11(7-9(10)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12)
InChIKey
KOLJBMDKZNAERJ-UHFFFAOYSA-N
Compound name
2-(N-methylanilino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

164.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 135.0
[M+Na]+ 187.08418 140.8
[M-H]- 163.08768 139.5
[M+NH4]+ 182.12878 155.2
[M+K]+ 203.05812 140.3
[M+H-H2O]+ 147.09222 128.4
[M+HCOO]- 209.09316 160.9
[M+CH3COO]- 223.10881 185.9
[M+Na-2H]- 185.06963 140.7
[M]+ 164.09441 133.7
[M]- 164.09551 133.7
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