CID 131752670

(6z,9z,12z)-6,9,12-pentadecatrien-2-one

Structural Information

Molecular Formula
C15H24O
SMILES
CC/C=C/C/C=C\C/C=C/CCCC(=O)C
InChI
InChI=1S/C15H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h4-5,7-8,10-11H,3,6,9,12-14H2,1-2H3/b5-4+,8-7-,11-10+
InChIKey
CDLUQRUBQHRFDS-BQOJMOTRSA-N
Compound name
(6E,9Z,12E)-pentadeca-6,9,12-trien-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 157.4
[M+Na]+ 243.17193 162.2
[M-H]- 219.17543 156.5
[M+NH4]+ 238.21653 176.1
[M+K]+ 259.14587 158.2
[M+H-H2O]+ 203.17997 151.9
[M+HCOO]- 265.18091 178.5
[M+CH3COO]- 279.19656 191.7
[M+Na-2H]- 241.15738 158.7
[M]+ 220.18216 160.0
[M]- 220.18326 160.0
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.