CID 18364356

2,3-dimethylnaphthalene-1-carboxylic acid

Structural Information

Molecular Formula
C13H12O2
SMILES
CC1=CC2=CC=CC=C2C(=C1C)C(=O)O
InChI
InChI=1S/C13H12O2/c1-8-7-10-5-3-4-6-11(10)12(9(8)2)13(14)15/h3-7H,1-2H3,(H,14,15)
InChIKey
RBBDPYXZGDGBSL-UHFFFAOYSA-N
Compound name
2,3-dimethylnaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

516
Patents

200.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 141.8
[M+Na]+ 223.07294 156.5
[M+NH4]+ 218.11754 151.0
[M+K]+ 239.04688 149.5
[M-H]- 199.07644 144.6
[M+Na-2H]- 221.05839 148.7
[M]+ 200.08317 144.8
[M]- 200.08427 144.8
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