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 150.6
[M+Na]+ 259.09408 160.1
[M-H]- 235.09758 157.3
[M+NH4]+ 254.13868 165.1
[M+K]+ 275.06802 158.1
[M+H-H2O]+ 219.10212 145.2
[M+HCOO]- 281.10306 172.5
[M+CH3COO]- 295.11871 192.2
[M+Na-2H]- 257.07953 155.4
[M]+ 236.10431 157.0
[M]- 236.10541 157.0
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.