CID 6435607

4-crotoxy-3,5-dipropylbenzoic acid

Structural Information

Molecular Formula
C17H24O3
SMILES
CCCC1=CC(=CC(=C1OC/C=C/C)CCC)C(=O)O
InChI
InChI=1S/C17H24O3/c1-4-7-10-20-16-13(8-5-2)11-15(17(18)19)12-14(16)9-6-3/h4,7,11-12H,5-6,8-10H2,1-3H3,(H,18,19)/b7-4+
InChIKey
BSLVKWZTGQYRFJ-QPJJXVBHSA-N
Compound name
4-[(E)-but-2-enoxy]-3,5-dipropylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.17255 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 167.7
[M+Na]+ 299.16177 179.0
[M+NH4]+ 294.20637 173.8
[M+K]+ 315.13571 172.1
[M-H]- 275.16527 168.2
[M+Na-2H]- 297.14722 171.1
[M]+ 276.17200 169.2
[M]- 276.17310 169.2
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.