CID 13671273

6z,9z-nonadecadien-3-one

Structural Information

Molecular Formula
C19H34O
SMILES
CCCCCCCCC/C=C\C/C=C\CCC(=O)CC
InChI
InChI=1S/C19H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)4-2/h12-13,15-16H,3-11,14,17-18H2,1-2H3/b13-12-,16-15-
InChIKey
KQDHAQAIMOEUOT-QGLGPCELSA-N
Compound name
(6Z,9Z)-nonadeca-6,9-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

278.26096 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.26824 177.2
[M+Na]+ 301.25018 179.9
[M-H]- 277.25368 175.3
[M+NH4]+ 296.29478 193.5
[M+K]+ 317.22412 175.4
[M+H-H2O]+ 261.25822 170.7
[M+HCOO]- 323.25916 196.6
[M+CH3COO]- 337.27481 205.3
[M+Na-2H]- 299.23563 176.2
[M]+ 278.26041 182.0
[M]- 278.26151 182.0
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