CID 115011262

1889175-74-9

Structural Information

Molecular Formula
C6H12OS
SMILES
CSC1CC(C1)CO
InChI
InChI=1S/C6H12OS/c1-8-6-2-5(3-6)4-7/h5-7H,2-4H2,1H3
InChIKey
PHOMPPLZGQJWLW-UHFFFAOYSA-N
Compound name
(3-methylsulfanylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06816 121.3
[M+Na]+ 155.05010 126.7
[M-H]- 131.05360 123.6
[M+NH4]+ 150.09470 136.7
[M+K]+ 171.02404 128.2
[M+H-H2O]+ 115.05814 111.2
[M+HCOO]- 177.05908 136.7
[M+CH3COO]- 191.07473 173.2
[M+Na-2H]- 153.03555 123.6
[M]+ 132.06033 130.2
[M]- 132.06143 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.