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]+ 224.16451 147.2
[M+Na]+ 246.14645 153.4
[M-H]- 222.14995 146.9
[M+NH4]+ 241.19105 160.9
[M+K]+ 262.12039 150.5
[M+H-H2O]+ 206.15449 133.8
[M+HCOO]- 268.15543 159.6
[M+CH3COO]- 282.17108 194.2
[M+Na-2H]- 244.13190 151.0
[M]+ 223.15668 141.4
[M]- 223.15778 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.