CID 115011701

1836140-35-2

Structural Information

Molecular Formula

C₆H₁₀O₂S

SMILES

CSC1CC(C1)C(=O)O

InChI

InChI=1S/C6H10O2S/c1-9-5-2-4(3-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)

InChIKey

MSMUSHKIOZLLGD-UHFFFAOYSA-N

Compound name

3-methylsulfanylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 146.04015 Da
Monoisotopic Mass: 1.0
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]+	147.047426	125.2
[M+Na]+	169.029368	130.3
[M-H]-	145.032874	127.4
[M+NH4]+	164.073973	139.7
[M+K]+	185.003308	132.0
[M+H-H2O]+	129.037410	114.8
[M+HCOO]-	191.038351	139.9
[M+CH3COO]-	205.054001	175.0
[M+Na-2H]-	167.014816	126.2
[M]+	146.03960142	134.1
[M]-	146.04069858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe