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 148.7
[M+Na]+ 233.05730 160.4
[M-H]- 209.06080 151.8
[M+NH4]+ 228.10190 166.6
[M+K]+ 249.03124 154.1
[M+H-H2O]+ 193.06534 136.9
[M+HCOO]- 255.06628 165.5
[M+CH3COO]- 269.08193 195.3
[M+Na-2H]- 231.04275 153.5
[M]+ 210.06753 145.1
[M]- 210.06863 145.1
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

No patent data available for this compound.