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 128.1
[M+Na]+ 152.05044 137.3
[M-H]- 128.05394 128.2
[M+NH4]+ 147.09504 148.3
[M+K]+ 168.02438 135.3
[M+H-H2O]+ 112.05848 117.6
[M+HCOO]- 174.05942 141.7
[M+CH3COO]- 188.07507 181.9
[M+Na-2H]- 150.03589 130.6
[M]+ 129.06067 123.9
[M]- 129.06177 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