CID 57553

1-aziridinepropionamide, n-(3,4-dichlorophenyl)-

Structural Information

Molecular Formula
C11H12Cl2N2O
SMILES
C1CN1CCC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H12Cl2N2O/c12-9-2-1-8(7-10(9)13)14-11(16)3-4-15-5-6-15/h1-2,7H,3-6H2,(H,14,16)
InChIKey
JAJBCIUQXVCVPN-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-(3,4-dichlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

258.03265 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03993 151.1
[M+Na]+ 281.02187 161.0
[M-H]- 257.02537 156.1
[M+NH4]+ 276.06647 163.1
[M+K]+ 296.99581 154.7
[M+H-H2O]+ 241.02991 144.7
[M+HCOO]- 303.03085 165.2
[M+CH3COO]- 317.04650 197.9
[M+Na-2H]- 279.00732 155.1
[M]+ 258.03210 156.0
[M]- 258.03320 156.0
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