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

7
Patents

115.04557 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.052846 123.4
[M+Na]+ 138.034788 132.8
[M-H]- 114.038294 124.0
[M+NH4]+ 133.079393 144.1
[M+K]+ 154.008728 131.4
[M+H-H2O]+ 98.042830 112.9
[M+HCOO]- 160.043771 137.7
[M+CH3COO]- 174.059421 180.5
[M+Na-2H]- 136.020236 127.2
[M]+ 115.04502142 119.8
[M]- 115.04611858 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