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]+ 214.180156 153.4
[M+Na]+ 236.162098 156.4
[M-H]- 212.165604 154.4
[M+NH4]+ 231.206703 169.0
[M+K]+ 252.136038 156.2
[M+H-H2O]+ 196.170140 145.9
[M+HCOO]- 258.171081 170.0
[M+CH3COO]- 272.186731 188.1
[M+Na-2H]- 234.147546 156.6
[M]+ 213.17233142 152.7
[M]- 213.17342858 152.7
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.