CID 9149887

3-(2-methoxynaphthalen-1-yl)propanoic acid

Structural Information

Molecular Formula
C14H14O3
SMILES
COC1=C(C2=CC=CC=C2C=C1)CCC(=O)O
InChI
InChI=1S/C14H14O3/c1-17-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKey
AUVKOEHVYGYIKP-UHFFFAOYSA-N
Compound name
3-(2-methoxynaphthalen-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

230.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10158 150.0
[M+Na]+ 253.08352 163.5
[M+NH4]+ 248.12812 158.3
[M+K]+ 269.05746 156.6
[M-H]- 229.08702 152.1
[M+Na-2H]- 251.06897 156.2
[M]+ 230.09375 152.5
[M]- 230.09485 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe