CID 21119397

3-(mercaptomethyl)-3-methyloxetane

Structural Information

Molecular Formula
C5H10OS
SMILES
CC1(COC1)CS
InChI
InChI=1S/C5H10OS/c1-5(4-7)2-6-3-5/h7H,2-4H2,1H3
InChIKey
WQSWOIFLUZSYDX-UHFFFAOYSA-N
Compound name
(3-methyloxetan-3-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

405
References

0
Patents

118.045235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05251 114.2
[M+Na]+ 141.03445 120.5
[M-H]- 117.03796 118.8
[M+NH4]+ 136.07906 131.4
[M+K]+ 157.00839 124.3
[M+H-H2O]+ 101.04250 105.5
[M+HCOO]- 163.04344 130.8
[M+CH3COO]- 177.05909 171.3
[M+Na-2H]- 139.01990 120.7
[M]+ 118.04469 125.1
[M]- 118.04578 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.