CID 14216440

3,7-dimethyl-2e,6e-decadien-1,10-dioic acid

Structural Information

Molecular Formula
C12H18O4
SMILES
C/C(=C\CC/C(=C/C(=O)O)/C)/CCC(=O)O
InChI
InChI=1S/C12H18O4/c1-9(6-7-11(13)14)4-3-5-10(2)8-12(15)16/h4,8H,3,5-7H2,1-2H3,(H,13,14)(H,15,16)/b9-4+,10-8+
InChIKey
DCSNNHVJJADJBX-JKHSSWLHSA-N
Compound name
(2E,6E)-3,7-dimethyldeca-2,6-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.12051 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12779 154.4
[M+Na]+ 249.10973 158.6
[M-H]- 225.11323 151.1
[M+NH4]+ 244.15433 170.8
[M+K]+ 265.08367 156.4
[M+H-H2O]+ 209.11777 149.4
[M+HCOO]- 271.11871 171.0
[M+CH3COO]- 285.13436 186.6
[M+Na-2H]- 247.09518 152.3
[M]+ 226.11996 154.3
[M]- 226.12106 154.3
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.