CID 62475080

1628734-96-2

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

CS(=O)(=O)C1(CC1)CN

InChI

InChI=1S/C5H11NO2S/c1-9(7,8)5(4-6)2-3-5/h2-4,6H2,1H3

InChIKey

TZIMDZUAEJJJRT-UHFFFAOYSA-N

Compound name

(1-methylsulfonylcyclopropyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 149.05106 Da
Monoisotopic Mass: -1.0
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]+	150.058336	126.6
[M+Na]+	172.040278	136.3
[M-H]-	148.043784	131.1
[M+NH4]+	167.084883	144.8
[M+K]+	188.014218	134.4
[M+H-H2O]+	132.048320	122.4
[M+HCOO]-	194.049261	144.9
[M+CH3COO]-	208.064911	176.3
[M+Na-2H]-	170.025726	132.7
[M]+	149.05051142	130.4
[M]-	149.05160858	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe