CID 13003485

3,4,7,11-tetramethyl-6e,10z-tridecadienal

Structural Information

Molecular Formula
C17H30O
SMILES
CC/C(=C\CC/C(=C/CC(C)C(C)CC=O)/C)/C
InChI
InChI=1S/C17H30O/c1-6-14(2)8-7-9-15(3)10-11-16(4)17(5)12-13-18/h8,10,13,16-17H,6-7,9,11-12H2,1-5H3/b14-8-,15-10+
InChIKey
RXBWBMXVYZIXDB-DCQZTHCWSA-N
Compound name
(6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

250.22966 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.236936 168.5
[M+Na]+ 273.218878 171.5
[M-H]- 249.222384 167.4
[M+NH4]+ 268.263483 185.9
[M+K]+ 289.192818 168.9
[M+H-H2O]+ 233.226920 162.9
[M+HCOO]- 295.227861 185.7
[M+CH3COO]- 309.243511 201.7
[M+Na-2H]- 271.204326 164.9
[M]+ 250.22911142 170.7
[M]- 250.23020858 170.7
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

patents stripe