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

0
Patents

234.1256 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 152.4
[M+Na]+ 257.11482 160.3
[M-H]- 233.11832 154.9
[M+NH4]+ 252.15942 170.2
[M+K]+ 273.08876 157.3
[M+H-H2O]+ 217.12286 146.6
[M+HCOO]- 279.12380 173.9
[M+CH3COO]- 293.13945 192.5
[M+Na-2H]- 255.10027 154.3
[M]+ 234.12505 155.8
[M]- 234.12615 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