CID 16770133

926209-30-5

Structural Information

Molecular Formula
C12H14O3
SMILES
CC1=C(C=C(C=C1)C2(CC2)C(=O)O)OC
InChI
InChI=1S/C12H14O3/c1-8-3-4-9(7-10(8)15-2)12(5-6-12)11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKey
WHSRBWOFSUGSHR-UHFFFAOYSA-N
Compound name
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 142.6
[M+Na]+ 229.08352 152.7
[M-H]- 205.08702 149.7
[M+NH4]+ 224.12812 158.4
[M+K]+ 245.05746 150.5
[M+H-H2O]+ 189.09156 137.6
[M+HCOO]- 251.09250 164.7
[M+CH3COO]- 265.10815 187.3
[M+Na-2H]- 227.06897 148.0
[M]+ 206.09375 147.2
[M]- 206.09485 147.2
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

patents stripe