CID 19688863

2-(dimethylamino)-1-propanethiol hydrochloride

Structural Information

Molecular Formula
C5H13NS
SMILES
CC(CS)N(C)C
InChI
InChI=1S/C5H13NS/c1-5(4-7)6(2)3/h5,7H,4H2,1-3H3
InChIKey
ARGOSVDPSCPNGS-UHFFFAOYSA-N
Compound name
2-(dimethylamino)propane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

119.07687 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.084146 124.3
[M+Na]+ 142.066088 131.0
[M-H]- 118.069594 126.4
[M+NH4]+ 137.110693 147.8
[M+K]+ 158.040028 131.8
[M+H-H2O]+ 102.074130 119.2
[M+HCOO]- 164.075071 143.2
[M+CH3COO]- 178.090721 177.4
[M+Na-2H]- 140.051536 126.6
[M]+ 119.07632142 127.0
[M]- 119.07741858 127.0
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