CID 64164649

Methyl[(thiolan-3-yl)methyl]amine hydrochloride

Structural Information

Molecular Formula

SMILES

CNCC1CCSC1

InChI

InChI=1S/C6H13NS/c1-7-4-6-2-3-8-5-6/h6-7H,2-5H2,1H3

InChIKey

VJRYFAAAFHDFPG-UHFFFAOYSA-N

Compound name

N-methyl-1-(thiolan-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 131.07687 Da
Monoisotopic Mass: 0.8
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]+	132.084146	127.2
[M+Na]+	154.066088	133.3
[M-H]-	130.069594	130.5
[M+NH4]+	149.110693	151.1
[M+K]+	170.040028	132.0
[M+H-H2O]+	114.074130	121.9
[M+HCOO]-	176.075071	146.1
[M+CH3COO]-	190.090721	171.9
[M+Na-2H]-	152.051536	129.5
[M]+	131.07632142	125.4
[M]-	131.07741858	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe