CID 6448610

143337-73-9

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCCCO/C=C/C#CCN1CCOCC1
InChI
InChI=1S/C13H21NO2/c1-2-3-10-15-11-6-4-5-7-14-8-12-16-13-9-14/h6,11H,2-3,7-10,12-13H2,1H3/b11-6+
InChIKey
WKUZASLJYKAXOR-IZZDOVSWSA-N
Compound name
4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 147.2
[M+Na]+ 246.146448 153.4
[M-H]- 222.149954 146.9
[M+NH4]+ 241.191053 160.9
[M+K]+ 262.120388 150.5
[M+H-H2O]+ 206.154490 133.8
[M+HCOO]- 268.155431 159.6
[M+CH3COO]- 282.171081 194.2
[M+Na-2H]- 244.131896 151.0
[M]+ 223.15668142 141.4
[M]- 223.15777858 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.