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]+ 237.112136 150.6
[M+Na]+ 259.094078 160.1
[M-H]- 235.097584 157.3
[M+NH4]+ 254.138683 165.1
[M+K]+ 275.068018 158.1
[M+H-H2O]+ 219.102120 145.2
[M+HCOO]- 281.103061 172.5
[M+CH3COO]- 295.118711 192.2
[M+Na-2H]- 257.079526 155.4
[M]+ 236.10431142 157.0
[M]- 236.10540858 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.