CID 151477

32047-53-3

Structural Information

Molecular Formula
C4H11NS
SMILES
CC(C)(CN)S
InChI
InChI=1S/C4H11NS/c1-4(2,6)3-5/h6H,3,5H2,1-2H3
InChIKey
MBPAUMHSIFBANF-UHFFFAOYSA-N
Compound name
1-amino-2-methylpropane-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

514
Patents

105.06122 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.06850 122.0
[M+Na]+ 128.05044 131.4
[M+NH4]+ 123.09504 131.1
[M+K]+ 144.02438 124.7
[M-H]- 104.05394 122.3
[M+Na-2H]- 126.03589 125.6
[M]+ 105.06067 123.8
[M]- 105.06177 123.8
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