CID 118200

35044-58-7

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CCOC(=O)C1C(=C)C=CCC1(C)C

InChI

InChI=1S/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7,10H,2,5,8H2,1,3-4H3

InChIKey

DOVGPJULTGXWJT-UHFFFAOYSA-N

Compound name

ethyl 6,6-dimethyl-2-methylidenecyclohex-3-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 77
Patents: 194.13068 Da
Monoisotopic Mass: 2.9
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]+	195.13796	145.0
[M+Na]+	217.11990	156.3
[M+NH4]+	212.16450	154.3
[M+K]+	233.09384	148.3
[M-H]-	193.12340	146.4
[M+Na-2H]-	215.10535	150.9
[M]+	194.13013	147.0
[M]-	194.13123	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe