CID 32176

23981-47-7

Structural Information

Molecular Formula
C13H12O3
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)CC(=O)O
InChI
InChI=1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15)
InChIKey
PHJFLPMVEFKEPL-UHFFFAOYSA-N
Compound name
2-(6-methoxynaphthalen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

74
References

1306
Patents

216.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 145.4
[M+Na]+ 239.06786 159.1
[M+NH4]+ 234.11246 153.9
[M+K]+ 255.04180 152.5
[M-H]- 215.07136 147.6
[M+Na-2H]- 237.05331 151.9
[M]+ 216.07809 147.9
[M]- 216.07919 147.9
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