CID 131752671

(6z,9z)-6,9-pentadecadien-2-one

Structural Information

Molecular Formula
C15H26O
SMILES
CCCCC/C=C\C/C=C/CCCC(=O)C
InChI
InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+
InChIKey
PBWOSGBKOJCBNQ-QEFCTBRHSA-N
Compound name
(6E,9Z)-pentadeca-6,9-dien-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 159.0
[M+Na]+ 245.18758 163.4
[M-H]- 221.19108 158.0
[M+NH4]+ 240.23218 177.7
[M+K]+ 261.16152 160.0
[M+H-H2O]+ 205.19562 153.4
[M+HCOO]- 267.19656 179.8
[M+CH3COO]- 281.21221 193.2
[M+Na-2H]- 243.17303 160.2
[M]+ 222.19781 162.4
[M]- 222.19891 162.4
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.