CID 60227

108260-26-0

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
C1CN1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)N
InChI
InChI=1S/C12H13ClN2O2/c13-9-3-1-8(2-4-9)11(16)7-10(12(14)17)15-5-6-15/h1-4,10H,5-7H2,(H2,14,17)
InChIKey
VDEHRUCDOJUIDA-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06656 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07384 152.0
[M+Na]+ 275.05578 160.3
[M-H]- 251.05928 157.4
[M+NH4]+ 270.10038 163.1
[M+K]+ 291.02972 155.2
[M+H-H2O]+ 235.06382 145.2
[M+HCOO]- 297.06476 168.9
[M+CH3COO]- 311.08041 198.2
[M+Na-2H]- 273.04123 154.0
[M]+ 252.06601 155.0
[M]- 252.06711 155.0
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

No patent data available for this compound.