CID 15511

2-methyl-2-butanethiol

Structural Information

Molecular Formula
C5H12S
SMILES
CCC(C)(C)S
InChI
InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3
InChIKey
IQIBYAHJXQVQGB-UHFFFAOYSA-N
Compound name
2-methylbutane-2-thiol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2540
Patents

104.06597 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.07325 122.8
[M+Na]+ 127.05519 133.7
[M+NH4]+ 122.09979 132.5
[M+K]+ 143.02913 126.1
[M-H]- 103.05869 123.2
[M+Na-2H]- 125.04064 127.0
[M]+ 104.06542 125.0
[M]- 104.06652 125.0
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