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

205
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

literature stripe

Patent stripe

patents stripe