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]+ 221.189986 157.4
[M+Na]+ 243.171928 162.2
[M-H]- 219.175434 156.5
[M+NH4]+ 238.216533 176.1
[M+K]+ 259.145868 158.2
[M+H-H2O]+ 203.179970 151.9
[M+HCOO]- 265.180911 178.4
[M+CH3COO]- 279.196561 191.7
[M+Na-2H]- 241.157376 158.7
[M]+ 220.18216142 160.0
[M]- 220.18325858 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.