CID 108870

59994-21-7

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CC(=O)CC(=O)NC1=CC=CC(=C1)N
InChI
InChI=1S/C10H12N2O2/c1-7(13)5-10(14)12-9-4-2-3-8(11)6-9/h2-4,6H,5,11H2,1H3,(H,12,14)
InChIKey
LPOVGUZCXWCZLY-UHFFFAOYSA-N
Compound name
N-(3-aminophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

192.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 141.8
[M+Na]+ 215.079088 148.0
[M-H]- 191.082594 145.1
[M+NH4]+ 210.123693 160.3
[M+K]+ 231.053028 146.2
[M+H-H2O]+ 175.087130 135.3
[M+HCOO]- 237.088071 166.3
[M+CH3COO]- 251.103721 188.1
[M+Na-2H]- 213.064536 145.7
[M]+ 192.08932142 140.0
[M]- 192.09041858 140.0
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

patents stripe