CID 248037

2-methyl-1-((2-methyl-1-aziridinyl)dithio)aziridine

Structural Information

Molecular Formula

C₆H₁₂N₂S₂

SMILES

CC1CN1SSN2CC2C

InChI

InChI=1S/C6H12N2S2/c1-5-3-7(5)9-10-8-4-6(8)2/h5-6H,3-4H2,1-2H3

InChIKey

HYOINPADVXWFGH-UHFFFAOYSA-N

Compound name

2-methyl-1-[(2-methylaziridin-1-yl)disulfanyl]aziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 176.04419 Da
Monoisotopic Mass: 1.8
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]+	177.05147	143.5
[M+Na]+	199.03341	152.1
[M-H]-	175.03691	147.8
[M+NH4]+	194.07801	151.0
[M+K]+	215.00735	148.7
[M+H-H2O]+	159.04145	136.0
[M+HCOO]-	221.04239	153.2
[M+CH3COO]-	235.05804	193.3
[M+Na-2H]-	197.01886	141.9
[M]+	176.04364	148.9
[M]-	176.04474	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe