CID 145867071

1876557-27-5

Structural Information

Molecular Formula
C11H21NS
SMILES
CCC1(CN(CCS1)CC=C)CC
InChI
InChI=1S/C11H21NS/c1-4-7-12-8-9-13-11(5-2,6-3)10-12/h4H,1,5-10H2,2-3H3
InChIKey
BXXRIRVVVPSGPY-UHFFFAOYSA-N
Compound name
2,2-diethyl-4-prop-2-enylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.13947 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.146746 144.9
[M+Na]+ 222.128688 150.6
[M-H]- 198.132194 146.3
[M+NH4]+ 217.173293 165.5
[M+K]+ 238.102628 147.8
[M+H-H2O]+ 182.136730 139.2
[M+HCOO]- 244.137671 158.1
[M+CH3COO]- 258.153321 184.8
[M+Na-2H]- 220.114136 146.4
[M]+ 199.13892142 144.0
[M]- 199.14001858 144.0
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.