CID 20200190

2-[ethyl(methyl)amino]ethane-1-thiol

Structural Information

Molecular Formula
C5H13NS
SMILES
CCN(C)CCS
InChI
InChI=1S/C5H13NS/c1-3-6(2)4-5-7/h7H,3-5H2,1-2H3
InChIKey
SCHGEURGNDMPPN-UHFFFAOYSA-N
Compound name
2-[ethyl(methyl)amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

119.07687 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.084146 123.9
[M+Na]+ 142.066088 130.8
[M-H]- 118.069594 126.0
[M+NH4]+ 137.110693 147.5
[M+K]+ 158.040028 131.2
[M+H-H2O]+ 102.074130 118.7
[M+HCOO]- 164.075071 143.8
[M+CH3COO]- 178.090721 176.5
[M+Na-2H]- 140.051536 127.4
[M]+ 119.07632142 127.3
[M]- 119.07741858 127.3
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