CID 3880149

3-(4-methoxynaphthyl)acrylic acid

Structural Information

Molecular Formula
C14H12O3
SMILES
COC1=CC=C(C2=CC=CC=C21)C=CC(=O)O
InChI
InChI=1S/C14H12O3/c1-17-13-8-6-10(7-9-14(15)16)11-4-2-3-5-12(11)13/h2-9H,1H3,(H,15,16)
InChIKey
BDWSMCXLZKKQFV-UHFFFAOYSA-N
Compound name
3-(4-methoxynaphthalen-1-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

228.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 148.4
[M+Na]+ 251.067858 156.7
[M-H]- 227.071364 151.8
[M+NH4]+ 246.112463 167.0
[M+K]+ 267.041798 153.0
[M+H-H2O]+ 211.075900 142.3
[M+HCOO]- 273.076841 169.8
[M+CH3COO]- 287.092491 188.2
[M+Na-2H]- 249.053306 154.2
[M]+ 228.07809142 150.0
[M]- 228.07918858 150.0
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

patents stripe