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

402
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 115.7
[M+Na]+ 141.03445 122.3
[M+NH4]+ 136.07906 122.9
[M+K]+ 157.00839 115.9
[M-H]- 117.03796 116.2
[M+Na-2H]- 139.01990 120.0
[M]+ 118.04469 116.2
[M]- 118.04578 116.2
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.