CID 296091

55909-76-7

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1=C(C(=CC=C1)NC(=O)CC(=O)C)C
InChI
InChI=1S/C12H15NO2/c1-8-5-4-6-11(10(8)3)13-12(15)7-9(2)14/h4-6H,7H2,1-3H3,(H,13,15)
InChIKey
JLBRPUWVDHSZKB-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

205.11028 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 145.4
[M+Na]+ 228.099498 152.6
[M-H]- 204.103004 149.3
[M+NH4]+ 223.144103 164.4
[M+K]+ 244.073438 150.8
[M+H-H2O]+ 188.107540 139.3
[M+HCOO]- 250.108481 168.9
[M+CH3COO]- 264.124131 190.9
[M+Na-2H]- 226.084946 148.4
[M]+ 205.10973142 146.5
[M]- 205.11082858 146.5
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