CID 15384039

3-cyclopropoxy-4-methoxybenzoic acid

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=C(C=C(C=C1)C(=O)O)OC2CC2
InChI
InChI=1S/C11H12O4/c1-14-9-5-2-7(11(12)13)6-10(9)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,12,13)
InChIKey
CLTBCTIJJDXSDW-UHFFFAOYSA-N
Compound name
3-cyclopropyloxy-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

208.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 145.6
[M+Na]+ 231.06278 158.8
[M+NH4]+ 226.10738 153.6
[M+K]+ 247.03672 155.2
[M-H]- 207.06628 154.4
[M+Na-2H]- 229.04823 154.1
[M]+ 208.07301 150.9
[M]- 208.07411 150.9
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