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

193
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

No literature data available for this compound.

Patent stripe

patents stripe