CID 71310929

91805-17-3

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

8
Patents

196.05243 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.059706 145.3
[M+Na]+ 219.041648 156.6
[M-H]- 195.045154 148.1
[M+NH4]+ 214.086253 163.4
[M+K]+ 235.015588 150.3
[M+H-H2O]+ 179.049690 133.4
[M+HCOO]- 241.050631 162.4
[M+CH3COO]- 255.066281 191.5
[M+Na-2H]- 217.027096 151.1
[M]+ 196.05188142 140.9
[M]- 196.05297858 140.9
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