CID 11629937

1-(3,4-dimethoxyphenyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
COC1=C(C=C(C=C1)C2(CC2)C(=O)O)OC
InChI
InChI=1S/C12H14O4/c1-15-9-4-3-8(7-10(9)16-2)12(5-6-12)11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKey
FELRPROQUKLRFC-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

222.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 150.8
[M+Na]+ 245.07842 164.1
[M+NH4]+ 240.12302 160.1
[M+K]+ 261.05236 158.6
[M-H]- 221.08192 159.8
[M+Na-2H]- 243.06387 160.6
[M]+ 222.08865 156.4
[M]- 222.08975 156.4
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

patents stripe