CID 131841500

(4z,8z)-4,8-dimethyl-12-oxotrideca-4,8-dienal

Structural Information

Molecular Formula
C15H24O2
SMILES
C/C(=C/CCC(=O)C)/CC/C=C(/C)\CCC=O
InChI
InChI=1S/C15H24O2/c1-13(9-5-11-15(3)17)7-4-8-14(2)10-6-12-16/h8-9,12H,4-7,10-11H2,1-3H3/b13-9-,14-8-
InChIKey
WFSIQNRAWDRWLN-RDBXOABQSA-N
Compound name
(4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

20
Patents

236.17763 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 160.8
[M+Na]+ 259.16685 165.1
[M-H]- 235.17035 160.0
[M+NH4]+ 254.21145 178.6
[M+K]+ 275.14079 162.4
[M+H-H2O]+ 219.17489 155.3
[M+HCOO]- 281.17583 180.1
[M+CH3COO]- 295.19148 195.8
[M+Na-2H]- 257.15230 159.6
[M]+ 236.17708 163.6
[M]- 236.17818 163.6
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