CID 79016884

1267218-80-3

Structural Information

Molecular Formula
C13H16O4
SMILES
COC1=C(C=C(C=C1)CC2(CC2)C(=O)O)OC
InChI
InChI=1S/C13H16O4/c1-16-10-4-3-9(7-11(10)17-2)8-13(5-6-13)12(14)15/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKey
QZFMUWORZRQORO-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11214 154.6
[M+Na]+ 259.09408 167.7
[M+NH4]+ 254.13868 163.7
[M+K]+ 275.06802 162.1
[M-H]- 235.09758 163.5
[M+Na-2H]- 257.07953 164.2
[M]+ 236.10431 160.2
[M]- 236.10541 160.2
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

No patent data available for this compound.