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

18
Patents

155.07687 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08415 132.2
[M+Na]+ 178.06609 140.4
[M-H]- 154.06959 133.1
[M+NH4]+ 173.11069 150.3
[M+K]+ 194.04003 137.3
[M+H-H2O]+ 138.07413 120.4
[M+HCOO]- 200.07507 141.6
[M+CH3COO]- 214.09072 183.3
[M+Na-2H]- 176.05154 134.4
[M]+ 155.07632 124.9
[M]- 155.07742 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