CID 521040

4146-00-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

105.06122 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.068496 120.5
[M+Na]+ 128.050438 128.1
[M-H]- 104.053944 120.9
[M+NH4]+ 123.095043 143.8
[M+K]+ 144.024378 127.2
[M+H-H2O]+ 88.058480 116.3
[M+HCOO]- 150.059421 138.1
[M+CH3COO]- 164.075071 169.4
[M+Na-2H]- 126.035886 124.7
[M]+ 105.06067142 120.7
[M]- 105.06176858 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

No literature data available for this compound.

Patent stripe

patents stripe