CID 93847

57934-97-1

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC1=CCCC(C1C(=O)OCC)(C)C
InChI
InChI=1S/C13H22O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h8,11H,5-7,9H2,1-4H3
InChIKey
CQHUPYQUERYPML-UHFFFAOYSA-N
Compound name
ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1848
Patents

210.16199 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 150.1
[M+Na]+ 233.15121 161.2
[M+NH4]+ 228.19581 159.5
[M+K]+ 249.12515 153.0
[M-H]- 209.15471 151.7
[M+Na-2H]- 231.13666 155.9
[M]+ 210.16144 152.2
[M]- 210.16254 152.2
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