CID 5354209

4-(3-pentyloxyallyl)morpholine

Structural Information

Molecular Formula
C12H23NO2
SMILES
CCCCCO/C=C/CN1CCOCC1
InChI
InChI=1S/C12H23NO2/c1-2-3-4-9-14-10-5-6-13-7-11-15-12-8-13/h5,10H,2-4,6-9,11-12H2,1H3/b10-5+
InChIKey
DLGWOOVMZICLKI-BJMVGYQFSA-N
Compound name
4-[(E)-3-pentoxyprop-2-enyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.18016 153.0
[M+Na]+ 236.16210 156.3
[M-H]- 212.16560 154.0
[M+NH4]+ 231.20670 168.8
[M+K]+ 252.13604 155.7
[M+H-H2O]+ 196.17014 145.5
[M+HCOO]- 258.17108 170.6
[M+CH3COO]- 272.18673 186.6
[M+Na-2H]- 234.14755 157.5
[M]+ 213.17233 152.9
[M]- 213.17343 152.9
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.