CID 130677352

2,2-diethyl-4-(prop-2-yn-1-yl)thiomorpholine

Structural Information

Molecular Formula
C11H19NS
SMILES
CCC1(CN(CCS1)CC#C)CC
InChI
InChI=1S/C11H19NS/c1-4-7-12-8-9-13-11(5-2,6-3)10-12/h1H,5-10H2,2-3H3
InChIKey
OAGUGDJUPIDCKG-UHFFFAOYSA-N
Compound name
2,2-diethyl-4-prop-2-ynylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.12383 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13111 139.4
[M+Na]+ 220.11305 150.0
[M+NH4]+ 215.15765 146.2
[M+K]+ 236.08699 137.2
[M-H]- 196.11655 133.5
[M+Na-2H]- 218.09850 142.7
[M]+ 197.12328 139.0
[M]- 197.12438 139.0
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

No patent data available for this compound.