CID 57878

4-ethoxy-3,5-dipropylbenzoic acid

Structural Information

Molecular Formula
C15H22O3
SMILES
CCCC1=CC(=CC(=C1OCC)CCC)C(=O)O
InChI
InChI=1S/C15H22O3/c1-4-7-11-9-13(15(16)17)10-12(8-5-2)14(11)18-6-3/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKey
HRFCIHYWDXONGU-UHFFFAOYSA-N
Compound name
4-ethoxy-3,5-dipropylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 158.7
[M+Na]+ 273.14611 165.9
[M-H]- 249.14961 161.0
[M+NH4]+ 268.19071 175.9
[M+K]+ 289.12005 163.2
[M+H-H2O]+ 233.15415 152.6
[M+HCOO]- 295.15509 179.7
[M+CH3COO]- 309.17074 196.4
[M+Na-2H]- 271.13156 160.0
[M]+ 250.15634 163.2
[M]- 250.15744 163.2
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.