CID 71310929

2-naphthyl propiolate

Structural Information

Molecular Formula
C13H8O2
SMILES
C#CC(=O)OC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H8O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h1,3-9H
InChIKey
ANECZRYIRALULR-UHFFFAOYSA-N
Compound name
naphthalen-2-yl prop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.05243 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05971 143.8
[M+Na]+ 219.04165 157.7
[M+NH4]+ 214.08625 149.3
[M+K]+ 235.01559 147.3
[M-H]- 195.04515 138.5
[M+Na-2H]- 217.02710 148.2
[M]+ 196.05188 143.6
[M]- 196.05298 143.6
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