CID 6435607

Benzoic acid, 4-(2-butenyloxy)-3,5-dipropyl-

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]+ 277.179826 166.6
[M+Na]+ 299.161768 173.3
[M-H]- 275.165274 168.6
[M+NH4]+ 294.206373 182.8
[M+K]+ 315.135708 169.5
[M+H-H2O]+ 259.169810 160.3
[M+HCOO]- 321.170751 187.1
[M+CH3COO]- 335.186401 200.9
[M+Na-2H]- 297.147216 166.8
[M]+ 276.17200142 171.0
[M]- 276.17309858 171.0
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.