CID 13668048

7-methylnaphthalene-1-carboxylic acid

Structural Information

Molecular Formula
C12H10O2
SMILES
CC1=CC2=C(C=CC=C2C(=O)O)C=C1
InChI
InChI=1S/C12H10O2/c1-8-5-6-9-3-2-4-10(12(13)14)11(9)7-8/h2-7H,1H3,(H,13,14)
InChIKey
JTVOBWUGAKILQO-UHFFFAOYSA-N
Compound name
7-methylnaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

186.06808 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

patents stripe