CID 4340249

31184-48-2

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

5
Patents

244.10994 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.117216 154.3
[M+Na]+ 267.099158 161.8
[M-H]- 243.102664 157.5
[M+NH4]+ 262.143763 172.3
[M+K]+ 283.073098 158.4
[M+H-H2O]+ 227.107200 147.9
[M+HCOO]- 289.108141 175.1
[M+CH3COO]- 303.123791 192.7
[M+Na-2H]- 265.084606 159.5
[M]+ 244.10939142 157.0
[M]- 244.11048858 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