CID 11095260

81752-87-6

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CC1(CCCC(=C)C1C(=O)OC)C

InChI

InChI=1S/C11H18O2/c1-8-6-5-7-11(2,3)9(8)10(12)13-4/h9H,1,5-7H2,2-4H3

InChIKey

SMJXJPQSPQXVMU-UHFFFAOYSA-N

Compound name

methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 753
Patents: 182.13068 Da
Monoisotopic Mass: 2.8
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]+	183.13796	139.4
[M+Na]+	205.11990	146.1
[M-H]-	181.12340	142.9
[M+NH4]+	200.16450	161.8
[M+K]+	221.09384	145.1
[M+H-H2O]+	165.12794	135.2
[M+HCOO]-	227.12888	158.9
[M+CH3COO]-	241.14453	182.8
[M+Na-2H]-	203.10535	142.5
[M]+	182.13013	137.7
[M]-	182.13123	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe