CID 22565017

Methylgeranate

Structural Information

Molecular Formula
C11H18O2
SMILES
CC(=CCC/C(=C(\C)/C(=O)O)/C)C
InChI
InChI=1S/C11H18O2/c1-8(2)6-5-7-9(3)10(4)11(12)13/h6H,5,7H2,1-4H3,(H,12,13)/b10-9+
InChIKey
AZFOXTNJXWNTME-MDZDMXLPSA-N
Compound name
(2E)-2,3,7-trimethylocta-2,6-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

772
Patents

182.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 144.7
[M+Na]+ 205.119898 149.7
[M-H]- 181.123404 143.2
[M+NH4]+ 200.164503 163.9
[M+K]+ 221.093838 148.2
[M+H-H2O]+ 165.127940 140.2
[M+HCOO]- 227.128881 162.5
[M+CH3COO]- 241.144531 183.0
[M+Na-2H]- 203.105346 143.7
[M]+ 182.13013142 144.0
[M]- 182.13122858 144.0
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