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]+ 130.06850 127.5
[M+Na]+ 152.05044 136.6
[M-H]- 128.05394 128.0
[M+NH4]+ 147.09504 147.9
[M+K]+ 168.02438 135.0
[M+H-H2O]+ 112.05848 116.9
[M+HCOO]- 174.05942 141.6
[M+CH3COO]- 188.07507 182.6
[M+Na-2H]- 150.03589 130.8
[M]+ 129.06067 124.1
[M]- 129.06177 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.