CID 139026691

2,2-dimethyl-4-[2-(prop-2-yn-1-yloxy)ethyl]thiomorpholine

Structural Information

Molecular Formula
C11H19NOS
SMILES
CC1(CN(CCS1)CCOCC#C)C
InChI
InChI=1S/C11H19NOS/c1-4-7-13-8-5-12-6-9-14-11(2,3)10-12/h1H,5-10H2,2-3H3
InChIKey
NJFCUCFXLWQJMI-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(2-prop-2-ynoxyethyl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.11873 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12601 145.8
[M+Na]+ 236.10795 154.4
[M-H]- 212.11145 146.9
[M+NH4]+ 231.15255 163.9
[M+K]+ 252.08189 150.9
[M+H-H2O]+ 196.11599 134.5
[M+HCOO]- 258.11693 154.6
[M+CH3COO]- 272.13258 193.6
[M+Na-2H]- 234.09340 147.4
[M]+ 213.11818 141.4
[M]- 213.11928 141.4
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.