CID 348912

4-ethyl-1-naphthoic acid

Structural Information

Molecular Formula
C13H12O2
SMILES
CCC1=CC=C(C2=CC=CC=C12)C(=O)O
InChI
InChI=1S/C13H12O2/c1-2-9-7-8-12(13(14)15)11-6-4-3-5-10(9)11/h3-8H,2H2,1H3,(H,14,15)
InChIKey
PLFCGQDMWZGHOQ-UHFFFAOYSA-N
Compound name
4-ethylnaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

200.08372 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 141.6
[M+Na]+ 223.07294 150.1
[M-H]- 199.07644 145.2
[M+NH4]+ 218.11754 161.5
[M+K]+ 239.04688 146.6
[M+H-H2O]+ 183.08098 135.9
[M+HCOO]- 245.08192 162.9
[M+CH3COO]- 259.09757 184.6
[M+Na-2H]- 221.05839 147.9
[M]+ 200.08317 142.2
[M]- 200.08427 142.2
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