CID 3009817

1-[2-(aziridin-1-yl)ethyl]aziridine

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

C1CN1CCN2CC2

InChI

InChI=1S/C6H12N2/c1-2-7(1)5-6-8-3-4-8/h1-6H2

InChIKey

YIQQNAISVQHIOJ-UHFFFAOYSA-N

Compound name

1-[2-(aziridin-1-yl)ethyl]aziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 112.10005 Da
Monoisotopic Mass: -0.2
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]+	113.10733	147.0
[M+Na]+	135.08927	155.0
[M-H]-	111.09277	151.5
[M+NH4]+	130.13387	155.6
[M+K]+	151.06321	153.4
[M+H-H2O]+	95.097310	139.3
[M+HCOO]-	157.09825	166.1
[M+CH3COO]-	171.11390	184.3
[M+Na-2H]-	133.07472	151.2
[M]+	112.09950	149.7
[M]-	112.10060	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe