CID 53286

75606-28-9

Structural Information

Molecular Formula
C5H9NS
SMILES
C#CCSCCN
InChI
InChI=1S/C5H9NS/c1-2-4-7-5-3-6/h1H,3-6H2
InChIKey
JXNNUSBDVAUZFU-UHFFFAOYSA-N
Compound name
2-prop-2-ynylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

115.04557 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.05285 124.0
[M+Na]+ 138.03479 133.5
[M-H]- 114.03829 124.2
[M+NH4]+ 133.07939 144.6
[M+K]+ 154.00873 131.7
[M+H-H2O]+ 98.042830 113.6
[M+HCOO]- 160.04377 137.8
[M+CH3COO]- 174.05942 179.8
[M+Na-2H]- 136.02024 126.9
[M]+ 115.04502 119.5
[M]- 115.04612 119.5
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