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

141
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

No literature data available for this compound.

Patent stripe

patents stripe