CID 71671606

3-(2-methylpropoxy)-5-(propan-2-yloxy)benzoic acid

Structural Information

Molecular Formula
C14H20O4
SMILES
CC(C)COC1=CC(=CC(=C1)C(=O)O)OC(C)C
InChI
InChI=1S/C14H20O4/c1-9(2)8-17-12-5-11(14(15)16)6-13(7-12)18-10(3)4/h5-7,9-10H,8H2,1-4H3,(H,15,16)
InChIKey
DZONFUHMFVYNSD-UHFFFAOYSA-N
Compound name
3-(2-methylpropoxy)-5-propan-2-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.13615 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14343 157.7
[M+Na]+ 275.12537 163.7
[M-H]- 251.12887 159.9
[M+NH4]+ 270.16997 174.3
[M+K]+ 291.09931 162.9
[M+H-H2O]+ 235.13341 151.5
[M+HCOO]- 297.13435 177.2
[M+CH3COO]- 311.15000 196.0
[M+Na-2H]- 273.11082 157.7
[M]+ 252.13560 161.5
[M]- 252.13670 161.5
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

No patent data available for this compound.