CID 155937634

1033047-91-4

Structural Information

Molecular Formula
C12H14O4
SMILES
COC1=CC=CC(=C1OC)C2(CC2)C(=O)O
InChI
InChI=1S/C12H14O4/c1-15-9-5-3-4-8(10(9)16-2)12(6-7-12)11(13)14/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKey
DMPAZTOWECHUTQ-UHFFFAOYSA-N
Compound name
1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 146.4
[M+Na]+ 245.07842 156.3
[M-H]- 221.08192 153.3
[M+NH4]+ 240.12302 161.4
[M+K]+ 261.05236 154.5
[M+H-H2O]+ 205.08646 141.1
[M+HCOO]- 267.08740 168.5
[M+CH3COO]- 281.10305 189.3
[M+Na-2H]- 243.06387 151.7
[M]+ 222.08865 152.4
[M]- 222.08975 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

No patent data available for this compound.