CID 5282669

2,7-dimethyl-6-nonenoic acid

Structural Information

Molecular Formula
C11H20O2
SMILES
CCC(C)/C=C/CCC(C)C(=O)O
InChI
InChI=1S/C11H20O2/c1-4-9(2)7-5-6-8-10(3)11(12)13/h5,7,9-10H,4,6,8H2,1-3H3,(H,12,13)/b7-5+
InChIKey
UNJOGCWDIKMFQI-FNORWQNLSA-N
Compound name
(E)-2,7-dimethylnon-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 146.6
[M+Na]+ 207.13555 151.4
[M-H]- 183.13905 144.9
[M+NH4]+ 202.18015 165.8
[M+K]+ 223.10949 150.0
[M+H-H2O]+ 167.14359 141.8
[M+HCOO]- 229.14453 165.2
[M+CH3COO]- 243.16018 183.6
[M+Na-2H]- 205.12100 146.7
[M]+ 184.14578 147.3
[M]- 184.14688 147.3
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

patents stripe