CID 103738

Methyl 2-hydroxy-3-methyl-4-oxocyclohex-2-ene-1-carboxylate

Structural Information

Molecular Formula
C9H12O4
SMILES
CC1=C(C(CCC1=O)C(=O)OC)O
InChI
InChI=1S/C9H12O4/c1-5-7(10)4-3-6(8(5)11)9(12)13-2/h6,11H,3-4H2,1-2H3
InChIKey
RPPMIZUMAXAWTB-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-3-methyl-4-oxocyclohex-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 135.6
[M+Na]+ 207.062778 143.6
[M-H]- 183.066284 138.3
[M+NH4]+ 202.107383 155.3
[M+K]+ 223.036718 142.7
[M+H-H2O]+ 167.070820 130.7
[M+HCOO]- 229.071761 156.1
[M+CH3COO]- 243.087411 179.6
[M+Na-2H]- 205.048226 138.3
[M]+ 184.07301142 135.7
[M]- 184.07410858 135.7
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.