CID 2752044

1-methylnaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C12H10O2
SMILES
CC1=C(C=CC2=CC=CC=C12)C(=O)O
InChI
InChI=1S/C12H10O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey
IDTDAMGQDWDZEU-UHFFFAOYSA-N
Compound name
1-methylnaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

473
Patents

186.06808 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.075356 136.8
[M+Na]+ 209.057298 145.8
[M-H]- 185.060804 140.6
[M+NH4]+ 204.101903 157.3
[M+K]+ 225.031238 142.5
[M+H-H2O]+ 169.065340 131.3
[M+HCOO]- 231.066281 158.5
[M+CH3COO]- 245.081931 181.5
[M+Na-2H]- 207.042746 143.7
[M]+ 186.06753142 137.1
[M]- 186.06862858 137.1
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