CID 23582

Brn 2623756

Structural Information

Molecular Formula
C17H24O3
SMILES
CCCC1=CC(=CC(=C1OCC(=C)C)CCC)C(=O)O
InChI
InChI=1S/C17H24O3/c1-5-7-13-9-15(17(18)19)10-14(8-6-2)16(13)20-11-12(3)4/h9-10H,3,5-8,11H2,1-2,4H3,(H,18,19)
InChIKey
GUVNKDXOIRNAOG-UHFFFAOYSA-N
Compound name
4-(2-methylprop-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

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 166.3
[M+Na]+ 299.16177 172.6
[M-H]- 275.16527 168.3
[M+NH4]+ 294.20637 182.3
[M+K]+ 315.13571 169.3
[M+H-H2O]+ 259.16981 160.0
[M+HCOO]- 321.17075 185.7
[M+CH3COO]- 335.18640 202.4
[M+Na-2H]- 297.14722 165.3
[M]+ 276.17200 170.1
[M]- 276.17310 170.1
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.