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

5
Patents

250.22966 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.23694 168.5
[M+Na]+ 273.21888 171.5
[M-H]- 249.22238 167.4
[M+NH4]+ 268.26348 185.9
[M+K]+ 289.19282 168.9
[M+H-H2O]+ 233.22692 162.9
[M+HCOO]- 295.22786 185.7
[M+CH3COO]- 309.24351 201.7
[M+Na-2H]- 271.20433 164.9
[M]+ 250.22911 170.7
[M]- 250.23021 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