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

84
Patents

200.08372 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.090996 141.6
[M+Na]+ 223.072938 150.1
[M-H]- 199.076444 145.2
[M+NH4]+ 218.117543 161.5
[M+K]+ 239.046878 146.6
[M+H-H2O]+ 183.080980 135.9
[M+HCOO]- 245.081921 162.9
[M+CH3COO]- 259.097571 184.6
[M+Na-2H]- 221.058386 147.9
[M]+ 200.08317142 142.2
[M]- 200.08426858 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