CID 57883

4-propoxy-3,5-dipropylbenzoic acid

Structural Information

Molecular Formula
C16H24O3
SMILES
CCCC1=CC(=CC(=C1OCCC)CCC)C(=O)O
InChI
InChI=1S/C16H24O3/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKey
UDENWZIHICZBNA-UHFFFAOYSA-N
Compound name
4-propoxy-3,5-dipropylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.17255 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 163.4
[M+Na]+ 287.16177 170.1
[M-H]- 263.16527 165.5
[M+NH4]+ 282.20637 180.0
[M+K]+ 303.13571 167.2
[M+H-H2O]+ 247.16981 157.1
[M+HCOO]- 309.17075 184.0
[M+CH3COO]- 323.18640 199.4
[M+Na-2H]- 285.14722 164.1
[M]+ 264.17200 168.2
[M]- 264.17310 168.2
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.