CID 53722795

2,6-octadienal, 3,6,7-trimethyl-

Structural Information

Molecular Formula
C11H18O
SMILES
CC(=C(C)CCC(=CC=O)C)C
InChI
InChI=1S/C11H18O/c1-9(2)11(4)6-5-10(3)7-8-12/h7-8H,5-6H2,1-4H3
InChIKey
CIJXIVUHYJAYCO-UHFFFAOYSA-N
Compound name
3,6,7-trimethylocta-2,6-dienal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

70
Patents

166.13577 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 140.7
[M+Na]+ 189.124988 146.3
[M-H]- 165.128494 140.6
[M+NH4]+ 184.169593 161.4
[M+K]+ 205.098928 144.9
[M+H-H2O]+ 149.133030 136.1
[M+HCOO]- 211.133971 160.8
[M+CH3COO]- 225.149621 182.8
[M+Na-2H]- 187.110436 141.6
[M]+ 166.13522142 141.2
[M]- 166.13631858 141.2
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