CID 123229486

(1-methylcyclobutyl)methanethiol

Structural Information

Molecular Formula

C₆H₁₂S

SMILES

CC1(CCC1)CS

InChI

InChI=1S/C6H12S/c1-6(5-7)3-2-4-6/h7H,2-5H2,1H3

InChIKey

ICRIGOBECLDITC-UHFFFAOYSA-N

Compound name

(1-methylcyclobutyl)methanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 116.06597 Da
Monoisotopic Mass: 2.2
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]+	117.07325	117.3
[M+Na]+	139.05519	123.9
[M+NH4]+	134.09979	125.0
[M+K]+	155.02913	116.4
[M-H]-	115.05869	117.0
[M+Na-2H]-	137.04064	122.2
[M]+	116.06542	117.6
[M]-	116.06652	117.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe