CID 137605

Methyl 2-naphthoate

Structural Information

Molecular Formula
C12H10O2
SMILES
COC(=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C12H10O2/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKey
IODOXLXFXNATGI-UHFFFAOYSA-N
Compound name
methyl naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

605
Patents

186.06808 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.075356 137.0
[M+Na]+ 209.057298 145.6
[M-H]- 185.060804 141.9
[M+NH4]+ 204.101903 158.0
[M+K]+ 225.031238 143.2
[M+H-H2O]+ 169.065340 131.0
[M+HCOO]- 231.066281 160.2
[M+CH3COO]- 245.081931 182.3
[M+Na-2H]- 207.042746 145.1
[M]+ 186.06753142 138.6
[M]- 186.06862858 138.6
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