CID 6437360

123219-86-3

Structural Information

Molecular Formula
C14H20O4
SMILES
CC1=CC(C(CC1)/C(=C/C(=O)OC)/C)C(=O)OC
InChI
InChI=1S/C14H20O4/c1-9-5-6-11(10(2)8-13(15)17-3)12(7-9)14(16)18-4/h7-8,11-12H,5-6H2,1-4H3/b10-8+
InChIKey
VARCDWGREFUVCN-CSKARUKUSA-N
Compound name
methyl 6-[(E)-4-methoxy-4-oxobut-2-en-2-yl]-3-methylcyclohex-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

57
References

0
Patents

252.13615 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14343 157.2
[M+Na]+ 275.12537 162.5
[M-H]- 251.12887 160.3
[M+NH4]+ 270.16997 174.5
[M+K]+ 291.09931 161.7
[M+H-H2O]+ 235.13341 151.3
[M+HCOO]- 297.13435 175.8
[M+CH3COO]- 311.15000 195.7
[M+Na-2H]- 273.11082 156.0
[M]+ 252.13560 158.5
[M]- 252.13670 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.