CID 3058764

2-(2-propynylamino)ethanethiol

Structural Information

Molecular Formula
C5H9NS
SMILES
C#CCNCCS
InChI
InChI=1S/C5H9NS/c1-2-3-6-4-5-7/h1,6-7H,3-5H2
InChIKey
VGAUDMMWNYUCAU-UHFFFAOYSA-N
Compound name
2-(prop-2-ynylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

115.04557 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.05285 123.4
[M+Na]+ 138.03479 132.8
[M-H]- 114.03829 124.0
[M+NH4]+ 133.07939 144.1
[M+K]+ 154.00873 131.4
[M+H-H2O]+ 98.042830 112.9
[M+HCOO]- 160.04377 137.7
[M+CH3COO]- 174.05942 180.5
[M+Na-2H]- 136.02024 127.2
[M]+ 115.04502 119.8
[M]- 115.04612 119.8
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