CID 165822716

Methyl 4-ethynylnaphthalene-1-carboxylate

Structural Information

Molecular Formula
C14H10O2
SMILES
COC(=O)C1=CC=C(C2=CC=CC=C21)C#C
InChI
InChI=1S/C14H10O2/c1-3-10-8-9-13(14(15)16-2)12-7-5-4-6-11(10)12/h1,4-9H,2H3
InChIKey
CBLNKOSUHKQWHU-UHFFFAOYSA-N
Compound name
methyl 4-ethynylnaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06808 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07536 146.5
[M+Na]+ 233.05730 160.6
[M+NH4]+ 228.10190 151.9
[M+K]+ 249.03124 150.2
[M-H]- 209.06080 141.3
[M+Na-2H]- 231.04275 150.6
[M]+ 210.06753 146.3
[M]- 210.06863 146.3
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

No patent data available for this compound.