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

115
Patents

119.07687 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08415 124.3
[M+Na]+ 142.06609 131.0
[M-H]- 118.06959 126.4
[M+NH4]+ 137.11069 147.8
[M+K]+ 158.04003 131.8
[M+H-H2O]+ 102.07413 119.2
[M+HCOO]- 164.07507 143.2
[M+CH3COO]- 178.09072 177.4
[M+Na-2H]- 140.05154 126.6
[M]+ 119.07632 127.0
[M]- 119.07742 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