CID 23584

Benzoic acid, 4-(allyloxy)-3,5-diethyl-

Structural Information

Molecular Formula
C14H18O3
SMILES
CCC1=CC(=CC(=C1OCC=C)CC)C(=O)O
InChI
InChI=1S/C14H18O3/c1-4-7-17-13-10(5-2)8-12(14(15)16)9-11(13)6-3/h4,8-9H,1,5-7H2,2-3H3,(H,15,16)
InChIKey
ROPIJQGJZIMXLI-UHFFFAOYSA-N
Compound name
3,5-diethyl-4-prop-2-enoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.1256 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.132876 152.4
[M+Na]+ 257.114818 160.3
[M-H]- 233.118324 154.9
[M+NH4]+ 252.159423 170.2
[M+K]+ 273.088758 157.3
[M+H-H2O]+ 217.122860 146.6
[M+HCOO]- 279.123801 173.9
[M+CH3COO]- 293.139451 192.5
[M+Na-2H]- 255.100266 154.3
[M]+ 234.12505142 155.8
[M]- 234.12614858 155.8
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

patents stripe