CID 151477

1-amino-2-methyl-2-propanethiol hydrochloride

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

748
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 120.5
[M+Na]+ 128.05044 128.1
[M-H]- 104.05394 120.9
[M+NH4]+ 123.09504 143.8
[M+K]+ 144.02438 127.2
[M+H-H2O]+ 88.058480 116.3
[M+HCOO]- 150.05942 138.1
[M+CH3COO]- 164.07507 169.4
[M+Na-2H]- 126.03589 124.7
[M]+ 105.06067 120.7
[M]- 105.06177 120.7
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