CID 102353211

Methyl (2e,4e,6e,8e,10e)-4,8-dimethyl-12-oxododeca-2,4,6,8,10-pentaenoate

Structural Information

Molecular Formula
C15H18O3
SMILES
C/C(=C\C=C\C=O)/C=C/C=C(\C)/C=C/C(=O)OC
InChI
InChI=1S/C15H18O3/c1-13(7-4-5-12-16)8-6-9-14(2)10-11-15(17)18-3/h4-12H,1-3H3/b5-4+,8-6+,11-10+,13-7+,14-9+
InChIKey
MDXPQYRVTKKYEX-BWKOTIHCSA-N
Compound name
methyl (2E,4E,6E,8E,10E)-4,8-dimethyl-12-oxododeca-2,4,6,8,10-pentaenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.132876 158.9
[M+Na]+ 269.114818 164.4
[M-H]- 245.118324 158.3
[M+NH4]+ 264.159423 176.4
[M+K]+ 285.088758 160.4
[M+H-H2O]+ 229.122860 153.6
[M+HCOO]- 291.123801 179.2
[M+CH3COO]- 305.139451 192.5
[M+Na-2H]- 267.100266 157.9
[M]+ 246.12505142 160.8
[M]- 246.12614858 160.8
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

No patent data available for this compound.