CID 5275520

Geranic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC(=CCC/C(=C/C(=O)O)/C)C

InChI

InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+

InChIKey

ZHYZQXUYZJNEHD-VQHVLOKHSA-N

Compound name

(2E)-3,7-dimethylocta-2,6-dienoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 56
References: 4195
Patents: 168.11504 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.12232	140.3
[M+Na]+	191.10426	145.9
[M-H]-	167.10776	138.9
[M+NH4]+	186.14886	160.2
[M+K]+	207.07820	144.2
[M+H-H2O]+	151.11230	135.8
[M+HCOO]-	213.11324	159.5
[M+CH3COO]-	227.12889	179.0
[M+Na-2H]-	189.08971	141.1
[M]+	168.11449	139.9
[M]-	168.11559	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe