CID 97120

1-aziridinepropionic acid, decyl ester

Structural Information

Molecular Formula

C₁₅H₂₉NO₂

SMILES

CCCCCCCCCCOC(=O)CCN1CC1

InChI

InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-14-18-15(17)10-11-16-12-13-16/h2-14H2,1H3

InChIKey

PICLSMCDEFZQTO-UHFFFAOYSA-N

Compound name

decyl 3-(aziridin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 255.21983 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.22711	162.0
[M+Na]+	278.20905	172.0
[M+NH4]+	273.25365	168.7
[M+K]+	294.18299	166.8
[M-H]-	254.21255	168.3
[M+Na-2H]-	276.19450	167.1
[M]+	255.21928	166.0
[M]-	255.22038	166.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.