CID 107221

4078-24-4

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(CC(=O)OC)N1CC1
InChI
InChI=1S/C7H13NO2/c1-6(8-3-4-8)5-7(9)10-2/h6H,3-5H2,1-2H3
InChIKey
MHUKXKGWSSWCHA-UHFFFAOYSA-N
Compound name
methyl 3-(aziridin-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 134.6
[M+Na]+ 166.083858 143.4
[M-H]- 142.087364 137.9
[M+NH4]+ 161.128463 150.1
[M+K]+ 182.057798 142.3
[M+H-H2O]+ 126.091900 128.0
[M+HCOO]- 188.092841 156.0
[M+CH3COO]- 202.108491 178.9
[M+Na-2H]- 164.069306 139.1
[M]+ 143.09409142 138.7
[M]- 143.09518858 138.7
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.