CID 12517151

2-methyl-2-sulfanylpropan-1-ol

Structural Information

Molecular Formula
C4H10OS
SMILES
CC(C)(CO)S
InChI
InChI=1S/C4H10OS/c1-4(2,6)3-5/h5-6H,3H2,1-2H3
InChIKey
DNROCZZBRJKCNN-UHFFFAOYSA-N
Compound name
2-methyl-2-sulfanylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

106.045235 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.05251 121.7
[M+Na]+ 129.03445 131.7
[M+NH4]+ 124.07906 130.6
[M+K]+ 145.00839 125.2
[M-H]- 105.03796 121.1
[M+Na-2H]- 127.01990 125.1
[M]+ 106.04469 123.4
[M]- 106.04578 123.4
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

patents stripe