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]+ 247.13288 158.9
[M+Na]+ 269.11482 164.4
[M-H]- 245.11832 158.3
[M+NH4]+ 264.15942 176.4
[M+K]+ 285.08876 160.4
[M+H-H2O]+ 229.12286 153.6
[M+HCOO]- 291.12380 179.2
[M+CH3COO]- 305.13945 192.5
[M+Na-2H]- 267.10027 157.9
[M]+ 246.12505 160.8
[M]- 246.12615 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.