CID 6452457

6,10-dodecadienal, 3,7,11-trimethyl-, (6e)-

Structural Information

Molecular Formula
C15H26O
SMILES
CC(CC/C=C(\C)/CCC=C(C)C)CC=O
InChI
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,12,15H,5-6,8,10-11H2,1-4H3/b14-9+
InChIKey
ITBYWGRSPHMAEE-NTEUORMPSA-N
Compound name
(6E)-3,7,11-trimethyldodeca-6,10-dienal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

206
Patents

222.19836 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 159.4
[M+Na]+ 245.18758 163.4
[M-H]- 221.19108 158.6
[M+NH4]+ 240.23218 178.0
[M+K]+ 261.16152 160.9
[M+H-H2O]+ 205.19562 154.0
[M+HCOO]- 267.19656 178.2
[M+CH3COO]- 281.21221 194.8
[M+Na-2H]- 243.17303 158.1
[M]+ 222.19781 161.4
[M]- 222.19891 161.4
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.