CID 25335

1-aziridinepropionic acid, hexyl ester

Structural Information

Molecular Formula
C11H21NO2
SMILES
CCCCCCOC(=O)CCN1CC1
InChI
InChI=1S/C11H21NO2/c1-2-3-4-5-10-14-11(13)6-7-12-8-9-12/h2-10H2,1H3
InChIKey
NOVRXKFQWDPVJF-UHFFFAOYSA-N
Compound name
hexyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 146.9
[M+Na]+ 222.14645 157.7
[M+NH4]+ 217.19105 154.3
[M+K]+ 238.12039 153.3
[M-H]- 198.14995 153.3
[M+Na-2H]- 220.13190 152.9
[M]+ 199.15668 151.1
[M]- 199.15778 151.1
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.