CID 93867

Einecs 261-373-5

Structural Information

Molecular Formula
C12H20O4
SMILES
C=CCCCCCCC(CC(=O)O)C(=O)O
InChI
InChI=1S/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h2,10H,1,3-9H2,(H,13,14)(H,15,16)
InChIKey
OFVPQIROYJTTQC-UHFFFAOYSA-N
Compound name
2-oct-7-enylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

228.13615 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 155.6
[M+Na]+ 251.12537 162.0
[M+NH4]+ 246.16997 159.7
[M+K]+ 267.09931 158.5
[M-H]- 227.12887 151.3
[M+Na-2H]- 249.11082 154.6
[M]+ 228.13560 154.6
[M]- 228.13670 154.6
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.