CID 101929256

2-(5,8-tetradecadienyl)cyclobutanone

Structural Information

Molecular Formula
C18H30O
SMILES
CCCCC/C=C/C/C=C/CCCCC1CCC1=O
InChI
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6+,10-9+
InChIKey
DAVBRGLWAOXZKF-AVQMFFATSA-N
Compound name
2-[(5E,8E)-tetradeca-5,8-dienyl]cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.22968 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 168.1
[M+Na]+ 285.21890 170.8
[M-H]- 261.22240 169.9
[M+NH4]+ 280.26350 178.8
[M+K]+ 301.19284 169.1
[M+H-H2O]+ 245.22694 156.8
[M+HCOO]- 307.22788 187.2
[M+CH3COO]- 321.24353 203.4
[M+Na-2H]- 283.20435 168.0
[M]+ 262.22913 179.1
[M]- 262.23023 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe