CID 6421281

13552-96-0

Structural Information

Molecular Formula
C13H20O
SMILES
CCCCC/C=C\C/C=C\C=C\C=O
InChI
InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-13H,2-5,8H2,1H3/b7-6-,10-9-,12-11+
InChIKey
BIXIZZVISIZZDM-JSHIYTDESA-N
Compound name
(2E,4Z,7Z)-trideca-2,4,7-trienal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

230
Patents

192.15141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 149.7
[M+Na]+ 215.14063 159.7
[M+NH4]+ 210.18523 156.3
[M+K]+ 231.11457 151.1
[M-H]- 191.14413 148.6
[M+Na-2H]- 213.12608 152.1
[M]+ 192.15086 150.5
[M]- 192.15196 150.5
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