CID 137955307

[1-(aminomethyl)cyclopropyl]methanesulfonamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

C1CC1(CN)CS(=O)(=O)N

InChI

InChI=1S/C5H12N2O2S/c6-3-5(1-2-5)4-10(7,8)9/h1-4,6H2,(H2,7,8,9)

InChIKey

POAVCTIOIUPRIG-UHFFFAOYSA-N

Compound name

[1-(aminomethyl)cyclopropyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.06195 Da
Monoisotopic Mass: -1.4
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]+	165.069226	128.2
[M+Na]+	187.051168	137.1
[M-H]-	163.054674	132.0
[M+NH4]+	182.095773	145.1
[M+K]+	203.025108	134.4
[M+H-H2O]+	147.059210	123.8
[M+HCOO]-	209.060151	146.8
[M+CH3COO]-	223.075801	180.5
[M+Na-2H]-	185.036616	134.0
[M]+	164.06140142	130.3
[M]-	164.06249858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.