CID 57554

99900-86-4

Structural Information

Molecular Formula
C13H16Cl2N2O
SMILES
CC1(CN1CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C13H16Cl2N2O/c1-13(2)8-17(13)6-5-12(18)16-9-3-4-10(14)11(15)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)
InChIKey
YCFOONAIAKNBMP-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-3-(2,2-dimethylaziridin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06396 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07124 158.3
[M+Na]+ 309.05318 168.8
[M-H]- 285.05668 163.7
[M+NH4]+ 304.09778 171.4
[M+K]+ 325.02712 162.9
[M+H-H2O]+ 269.06122 153.0
[M+HCOO]- 331.06216 171.4
[M+CH3COO]- 345.07781 204.1
[M+Na-2H]- 307.03863 161.8
[M]+ 286.06341 164.6
[M]- 286.06451 164.6
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.