CID 22493479

4-(but-3-yn-1-yl)thiomorpholine

Structural Information

Molecular Formula
C8H13NS
SMILES
C#CCCN1CCSCC1
InChI
InChI=1S/C8H13NS/c1-2-3-4-9-5-7-10-8-6-9/h1H,3-8H2
InChIKey
YMIFTCJTBWJTCD-UHFFFAOYSA-N
Compound name
4-but-3-ynylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

155.07687 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.084146 132.2
[M+Na]+ 178.066088 140.4
[M-H]- 154.069594 133.1
[M+NH4]+ 173.110693 150.3
[M+K]+ 194.040028 137.3
[M+H-H2O]+ 138.074130 120.4
[M+HCOO]- 200.075071 141.6
[M+CH3COO]- 214.090721 183.3
[M+Na-2H]- 176.051536 134.4
[M]+ 155.07632142 124.9
[M]- 155.07741858 124.9
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