CID 53287

2-(2-butynylthio)ethylamine

Structural Information

Molecular Formula
C6H11NS
SMILES
CC#CCSCCN
InChI
InChI=1S/C6H11NS/c1-2-3-5-8-6-4-7/h4-7H2,1H3
InChIKey
AXTRASMLTBFIRE-UHFFFAOYSA-N
Compound name
2-but-2-ynylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

129.06122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06850 123.0
[M+Na]+ 152.05044 132.5
[M+NH4]+ 147.09504 128.3
[M+K]+ 168.02438 122.2
[M-H]- 128.05394 116.1
[M+Na-2H]- 150.03589 124.2
[M]+ 129.06067 121.8
[M]- 129.06177 121.8
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