CID 166500

Ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate

Structural Information

Molecular Formula
C13H22O2
SMILES
CCOC(=O)C1C(=C(CCC1(C)C)C)C
InChI
InChI=1S/C13H22O2/c1-6-15-12(14)11-10(3)9(2)7-8-13(11,4)5/h11H,6-8H2,1-5H3
InChIKey
GUAPMIRFNRZYFI-UHFFFAOYSA-N
Compound name
ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1330
Patents

210.16199 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 146.8
[M+Na]+ 233.15121 154.3
[M-H]- 209.15471 150.7
[M+NH4]+ 228.19581 168.5
[M+K]+ 249.12515 153.3
[M+H-H2O]+ 193.15925 142.4
[M+HCOO]- 255.16019 166.9
[M+CH3COO]- 269.17584 190.5
[M+Na-2H]- 231.13666 149.2
[M]+ 210.16144 148.4
[M]- 210.16254 148.4
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