CID 116323

4-(2-pentyloxyallyl)morpholine

Structural Information

Molecular Formula
C12H23NO2
SMILES
CCCCCOC(=C)CN1CCOCC1
InChI
InChI=1S/C12H23NO2/c1-3-4-5-8-15-12(2)11-13-6-9-14-10-7-13/h2-11H2,1H3
InChIKey
XQCLEJKRQIAVJS-UHFFFAOYSA-N
Compound name
4-(2-pentoxyprop-2-enyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.18016 153.0
[M+Na]+ 236.16210 162.5
[M+NH4]+ 231.20670 160.0
[M+K]+ 252.13604 156.5
[M-H]- 212.16560 154.7
[M+Na-2H]- 234.14755 155.8
[M]+ 213.17233 154.5
[M]- 213.17343 154.5
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.