CID 3058765

Ethanethiol, 2-(2-butynylamino)-

Structural Information

Molecular Formula
C6H11NS
SMILES
CC#CCNCCS
InChI
InChI=1S/C6H11NS/c1-2-3-4-7-5-6-8/h7-8H,4-6H2,1H3
InChIKey
UQZGNIJHYNXCGQ-UHFFFAOYSA-N
Compound name
2-(but-2-ynylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.06122 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.068496 127.5
[M+Na]+ 152.050438 136.6
[M-H]- 128.053944 128.0
[M+NH4]+ 147.095043 147.9
[M+K]+ 168.024378 135.0
[M+H-H2O]+ 112.058480 116.9
[M+HCOO]- 174.059421 141.6
[M+CH3COO]- 188.075071 182.6
[M+Na-2H]- 150.035886 130.8
[M]+ 129.06067142 124.1
[M]- 129.06176858 124.1
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

No patent data available for this compound.