CID 11970633

Gamma-methylaziridine-1-propylamine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CC(CCN)N1CC1

InChI

InChI=1S/C6H14N2/c1-6(2-3-7)8-4-5-8/h6H,2-5,7H2,1H3

InChIKey

SVXZTUWVVQGRPC-UHFFFAOYSA-N

Compound name

3-(aziridin-1-yl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 114.1157 Da
Monoisotopic Mass: -0.1
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]+	115.12298	127.1
[M+Na]+	137.10492	135.4
[M-H]-	113.10842	129.9
[M+NH4]+	132.14952	143.2
[M+K]+	153.07886	133.5
[M+H-H2O]+	97.112960	120.5
[M+HCOO]-	159.11390	149.6
[M+CH3COO]-	173.12955	176.8
[M+Na-2H]-	135.09037	132.7
[M]+	114.11515	127.7
[M]-	114.11625	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe