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]+ 200.14675 144.9
[M+Na]+ 222.12869 150.6
[M-H]- 198.13219 146.3
[M+NH4]+ 217.17329 165.5
[M+K]+ 238.10263 147.8
[M+H-H2O]+ 182.13673 139.2
[M+HCOO]- 244.13767 158.1
[M+CH3COO]- 258.15332 184.8
[M+Na-2H]- 220.11414 146.4
[M]+ 199.13892 144.0
[M]- 199.14002 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.