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

207
Patents

222.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 146.4
[M+Na]+ 245.078418 156.3
[M-H]- 221.081924 153.3
[M+NH4]+ 240.123023 161.4
[M+K]+ 261.052358 154.5
[M+H-H2O]+ 205.086460 141.1
[M+HCOO]- 267.087401 168.5
[M+CH3COO]- 281.103051 189.3
[M+Na-2H]- 243.063866 151.7
[M]+ 222.08865142 152.4
[M]- 222.08974858 152.4
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