CID 91115

2,6,10-trimethylundeca-5,9-dienal

Structural Information

Molecular Formula
C14H24O
SMILES
CC(CCC=C(C)CCC=C(C)C)C=O
InChI
InChI=1S/C14H24O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,9,11,14H,5-6,8,10H2,1-4H3
InChIKey
ZXGMEZJVBHJYEQ-UHFFFAOYSA-N
Compound name
2,6,10-trimethylundeca-5,9-dienal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2670
Patents

208.18271 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 154.8
[M+Na]+ 231.17193 159.2
[M-H]- 207.17543 154.1
[M+NH4]+ 226.21653 173.8
[M+K]+ 247.14587 156.9
[M+H-H2O]+ 191.17997 149.6
[M+HCOO]- 253.18091 173.9
[M+CH3COO]- 267.19656 191.8
[M+Na-2H]- 229.15738 154.0
[M]+ 208.18216 156.4
[M]- 208.18326 156.4
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