CID 5279013

(2e,5e)-9-(1,5-dimethylhex-4-enyl)-6-methyl-cyclonona-2,5-diene-1,2-dicarbaldehyde

Structural Information

Molecular Formula
C20H30O2
SMILES
C/C/1=C\C/C=C(\C(C(CC1)C(C)CCC=C(C)C)C=O)/C=O
InChI
InChI=1S/C20H30O2/c1-15(2)7-5-9-17(4)19-12-11-16(3)8-6-10-18(13-21)20(19)14-22/h7-8,10,13-14,17,19-20H,5-6,9,11-12H2,1-4H3/b16-8+,18-10-
InChIKey
FFNRZJMOPKJSEP-JBQBYQKISA-N
Compound name
(2E,5E)-6-methyl-9-(6-methylhept-5-en-2-yl)cyclonona-2,5-diene-1,2-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 191.0
[M+Na]+ 325.21380 192.4
[M-H]- 301.21730 190.8
[M+NH4]+ 320.25840 191.0
[M+K]+ 341.18774 190.4
[M+H-H2O]+ 285.22184 182.2
[M+HCOO]- 347.22278 191.7
[M+CH3COO]- 361.23843 192.4
[M+Na-2H]- 323.19925 193.5
[M]+ 302.22403 191.2
[M]- 302.22513 191.2
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

No patent data available for this compound.