CID 765380

4-methoxynaphthalene-1-carboxylic acid

Structural Information

Molecular Formula
C12H10O3
SMILES
COC1=CC=C(C2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C12H10O3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,13,14)
InChIKey
WRQHSQDGYYDRMX-UHFFFAOYSA-N
Compound name
4-methoxynaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

202.06299 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07027 140.1
[M+Na]+ 225.05221 148.9
[M-H]- 201.05571 143.8
[M+NH4]+ 220.09681 159.8
[M+K]+ 241.02615 146.2
[M+H-H2O]+ 185.06025 134.3
[M+HCOO]- 247.06119 161.9
[M+CH3COO]- 261.07684 183.6
[M+Na-2H]- 223.03766 147.0
[M]+ 202.06244 141.8
[M]- 202.06354 141.8
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