CID 25220495

2-isopropoxy-3-methoxybenzoic acid

Structural Information

Molecular Formula
C11H14O4
SMILES
CC(C)OC1=C(C=CC=C1OC)C(=O)O
InChI
InChI=1S/C11H14O4/c1-7(2)15-10-8(11(12)13)5-4-6-9(10)14-3/h4-7H,1-3H3,(H,12,13)
InChIKey
ICFABYWULDECIF-UHFFFAOYSA-N
Compound name
3-methoxy-2-propan-2-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 144.7
[M+Na]+ 233.07842 156.0
[M+NH4]+ 228.12302 151.4
[M+K]+ 249.05236 151.8
[M-H]- 209.08192 144.9
[M+Na-2H]- 231.06387 149.3
[M]+ 210.08865 146.1
[M]- 210.08975 146.1
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.