CID 4621669

6-(acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid

Structural Information

Molecular Formula
C11H16O4
SMILES
CC1=CCC(C(C1)C(=O)O)COC(=O)C
InChI
InChI=1S/C11H16O4/c1-7-3-4-9(6-15-8(2)12)10(5-7)11(13)14/h3,9-10H,4-6H2,1-2H3,(H,13,14)
InChIKey
VNASBZVBLIPEBK-UHFFFAOYSA-N
Compound name
6-(acetyloxymethyl)-3-methylcyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.10486 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 146.8
[M+Na]+ 235.09408 156.3
[M+NH4]+ 230.13868 153.2
[M+K]+ 251.06802 152.4
[M-H]- 211.09758 146.4
[M+Na-2H]- 233.07953 149.5
[M]+ 212.10431 147.7
[M]- 212.10541 147.7
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

patents stripe