CID 130528926

Dicyclopropylmethanethiol

Structural Information

Molecular Formula

C₇H₁₂S

SMILES

C1CC1C(C2CC2)S

InChI

InChI=1S/C7H12S/c8-7(5-1-2-5)6-3-4-6/h5-8H,1-4H2

InChIKey

OHCIPSYWSSJOHV-UHFFFAOYSA-N

Compound name

dicyclopropylmethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 128.06598 Da
Monoisotopic Mass: 2.1
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]+	129.07326	112.0
[M+Na]+	151.05520	123.8
[M+NH4]+	146.09980	121.9
[M+K]+	167.02914	121.1
[M-H]-	127.05870	126.5
[M+Na-2H]-	149.04065	123.1
[M]+	128.06543	120.0
[M]-	128.06653	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.