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]+ 130.068496 128.1
[M+Na]+ 152.050438 137.3
[M-H]- 128.053944 128.2
[M+NH4]+ 147.095043 148.3
[M+K]+ 168.024378 135.3
[M+H-H2O]+ 112.058480 117.6
[M+HCOO]- 174.059421 141.7
[M+CH3COO]- 188.075071 181.9
[M+Na-2H]- 150.035886 130.6
[M]+ 129.06067142 123.9
[M]- 129.06176858 123.9
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