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]+ 209.080836 141.3
[M+Na]+ 231.062778 150.9
[M-H]- 207.066284 148.0
[M+NH4]+ 226.107383 154.9
[M+K]+ 247.036718 148.4
[M+H-H2O]+ 191.070820 135.0
[M+HCOO]- 253.071761 164.2
[M+CH3COO]- 267.087411 186.9
[M+Na-2H]- 229.048226 146.0
[M]+ 208.07301142 146.5
[M]- 208.07410858 146.5
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