CID 115626

(2-methyloxetan-2-yl)methanethiol

Structural Information

Molecular Formula
C5H10OS
SMILES
CC1(CCO1)CS
InChI
InChI=1S/C5H10OS/c1-5(4-7)2-3-6-5/h7H,2-4H2,1H3
InChIKey
XVPNECYYAUYMRB-UHFFFAOYSA-N
Compound name
(2-methyloxetan-2-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

118.045235 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.052511 114.2
[M+Na]+ 141.034453 120.5
[M-H]- 117.037959 118.8
[M+NH4]+ 136.079058 131.4
[M+K]+ 157.008393 124.3
[M+H-H2O]+ 101.042495 105.5
[M+HCOO]- 163.043436 130.8
[M+CH3COO]- 177.059086 171.3
[M+Na-2H]- 139.019901 120.7
[M]+ 118.04468642 125.1
[M]- 118.04578358 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.