CID 6438293

30346-23-7

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CC1(CCC/C(=C/C(=O)OC)/C1)C

InChI

InChI=1S/C11H18O2/c1-11(2)6-4-5-9(8-11)7-10(12)13-3/h7H,4-6,8H2,1-3H3/b9-7-

InChIKey

COTFKVCHGYBTDB-CLFYSBASSA-N

Compound name

methyl (2Z)-2-(3,3-dimethylcyclohexylidene)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	141.2
[M+Na]+	205.11990	147.0
[M-H]-	181.12340	144.4
[M+NH4]+	200.16450	163.3
[M+K]+	221.09384	146.0
[M+H-H2O]+	165.12794	136.7
[M+HCOO]-	227.12888	160.7
[M+CH3COO]-	241.14453	180.9
[M+Na-2H]-	203.10535	144.8
[M]+	182.13013	139.0
[M]-	182.13123	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe