CID 103425

65652-27-9

Structural Information

Molecular Formula

C₁₄H₂₂O₂

SMILES

CC(=CCCC1=CCCC(C1)(C)C(=O)O)C

InChI

InChI=1S/C14H22O2/c1-11(2)6-4-7-12-8-5-9-14(3,10-12)13(15)16/h6,8H,4-5,7,9-10H2,1-3H3,(H,15,16)

InChIKey

YFCNEIWVIJVLHW-UHFFFAOYSA-N

Compound name

1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 222.16199 Da
Monoisotopic Mass: 3.4
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]+	223.169266	153.8
[M+Na]+	245.151208	158.6
[M-H]-	221.154714	155.3
[M+NH4]+	240.195813	173.4
[M+K]+	261.125148	156.1
[M+H-H2O]+	205.159250	149.0
[M+HCOO]-	267.160191	171.1
[M+CH3COO]-	281.175841	188.5
[M+Na-2H]-	243.136656	154.9
[M]+	222.16144142	151.6
[M]-	222.16253858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe