CID 4340249

4-(6-methoxynaphthalen-1-yl)butanoic acid

Structural Information

Molecular Formula
C15H16O3
SMILES
COC1=CC2=C(C=C1)C(=CC=C2)CCCC(=O)O
InChI
InChI=1S/C15H16O3/c1-18-13-8-9-14-11(5-3-7-15(16)17)4-2-6-12(14)10-13/h2,4,6,8-10H,3,5,7H2,1H3,(H,16,17)
InChIKey
WRWORCWLPMTPKX-UHFFFAOYSA-N
Compound name
4-(6-methoxynaphthalen-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.10994 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 154.5
[M+Na]+ 267.09916 167.8
[M+NH4]+ 262.14376 162.7
[M+K]+ 283.07310 160.7
[M-H]- 243.10266 156.6
[M+Na-2H]- 265.08461 160.5
[M]+ 244.10939 157.0
[M]- 244.11049 157.0
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