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]+	129.073256	129.0
[M+Na]+	151.055198	135.9
[M-H]-	127.058704	136.2
[M+NH4]+	146.099803	139.8
[M+K]+	167.029138	135.4
[M+H-H2O]+	111.063240	122.7
[M+HCOO]-	173.064181	144.7
[M+CH3COO]-	187.079831	186.3
[M+Na-2H]-	149.040646	130.7
[M]+	128.06543142	132.8
[M]-	128.06652858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.