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]+ 214.126006 145.8
[M+Na]+ 236.107948 154.4
[M-H]- 212.111454 146.9
[M+NH4]+ 231.152553 163.9
[M+K]+ 252.081888 150.9
[M+H-H2O]+ 196.115990 134.5
[M+HCOO]- 258.116931 154.6
[M+CH3COO]- 272.132581 193.6
[M+Na-2H]- 234.093396 147.4
[M]+ 213.11818142 141.4
[M]- 213.11927858 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.