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
2
Annotation Hits

0
References

78
Patents

194.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 142.1
[M+Na]+ 217.11990 149.4
[M-H]- 193.12340 145.8
[M+NH4]+ 212.16450 164.1
[M+K]+ 233.09384 147.9
[M+H-H2O]+ 177.12794 137.7
[M+HCOO]- 239.12888 162.7
[M+CH3COO]- 253.14453 185.4
[M+Na-2H]- 215.10535 145.6
[M]+ 194.13013 142.2
[M]- 194.13123 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