CID 3302189

Cyclohexanesulfinic acid

Structural Information

Molecular Formula

C₆H₁₂O₂S

SMILES

C1CCC(CC1)S(=O)O

InChI

InChI=1S/C6H12O2S/c7-9(8)6-4-2-1-3-5-6/h6H,1-5H2,(H,7,8)

InChIKey

RVAUVEOTZNLMQL-UHFFFAOYSA-N

Compound name

cyclohexanesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 383
Patents: 148.0558 Da
Monoisotopic Mass: 1.2
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]+	149.06308	129.1
[M+Na]+	171.04502	134.2
[M-H]-	147.04852	130.8
[M+NH4]+	166.08962	149.8
[M+K]+	187.01896	132.8
[M+H-H2O]+	131.05306	124.2
[M+HCOO]-	193.05400	143.1
[M+CH3COO]-	207.06965	168.7
[M+Na-2H]-	169.03047	131.0
[M]+	148.05525	125.6
[M]-	148.05635	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe