CID 32040

1-aziridinepropionic acid, isopropyl ester

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)OC(=O)CCN1CC1
InChI
InChI=1S/C8H15NO2/c1-7(2)11-8(10)3-4-9-5-6-9/h7H,3-6H2,1-2H3
InChIKey
HBFJDSDDZWBGGY-UHFFFAOYSA-N
Compound name
propan-2-yl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 138.9
[M+Na]+ 180.099498 147.3
[M-H]- 156.103004 142.0
[M+NH4]+ 175.144103 153.8
[M+K]+ 196.073438 145.9
[M+H-H2O]+ 140.107540 132.2
[M+HCOO]- 202.108481 160.0
[M+CH3COO]- 216.124131 181.7
[M+Na-2H]- 178.084946 142.8
[M]+ 157.10973142 143.4
[M]- 157.11082858 143.4
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.