CID 103538

Ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate

Structural Information

Molecular Formula
C12H20O3
SMILES
CCOC(=O)C1C(=CC(CC1(C)C)O)C
InChI
InChI=1S/C12H20O3/c1-5-15-11(14)10-8(2)6-9(13)7-12(10,3)4/h6,9-10,13H,5,7H2,1-4H3
InChIKey
VBHJRLVIPZBBRT-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-2,6,6-trimethylcyclohex-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.148526 146.6
[M+Na]+ 235.130468 154.1
[M-H]- 211.133974 149.2
[M+NH4]+ 230.175073 167.4
[M+K]+ 251.104408 152.9
[M+H-H2O]+ 195.138510 142.5
[M+HCOO]- 257.139451 165.7
[M+CH3COO]- 271.155101 187.0
[M+Na-2H]- 233.115916 149.0
[M]+ 212.14070142 147.4
[M]- 212.14179858 147.4
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

No patent data available for this compound.