CID 139026528

2361634-16-2

Structural Information

Molecular Formula

C₅H₁₂N₂OS

SMILES

CS(=N)(=O)CC1CNC1

InChI

InChI=1S/C5H12N2OS/c1-9(6,8)4-5-2-7-3-5/h5-7H,2-4H2,1H3

InChIKey

ZGYCJRHTHAZFFD-UHFFFAOYSA-N

Compound name

azetidin-3-ylmethyl-imino-methyl-oxo-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 148.06703 Da
Monoisotopic Mass: 0.5
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]+	149.07431	129.2
[M+Na]+	171.05625	133.0
[M+NH4]+	166.10085	132.6
[M+K]+	187.03019	129.3
[M-H]-	147.05975	126.0
[M+Na-2H]-	169.04170	130.1
[M]+	148.06648	127.7
[M]-	148.06758	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.