CID 118200

3-cyclohexene-1-carboxylic acid, 6,6-dimethyl-2-methylene-, ethyl ester

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
3
Annotation Hits

0
References

59
Patents

194.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 142.1
[M+Na]+ 217.119898 149.4
[M-H]- 193.123404 145.8
[M+NH4]+ 212.164503 164.1
[M+K]+ 233.093838 147.9
[M+H-H2O]+ 177.127940 137.7
[M+HCOO]- 239.128881 162.7
[M+CH3COO]- 253.144531 185.4
[M+Na-2H]- 215.105346 145.6
[M]+ 194.13013142 142.2
[M]- 194.13122858 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe