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

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 145.3
[M+Na]+ 219.04165 156.6
[M-H]- 195.04515 148.1
[M+NH4]+ 214.08625 163.4
[M+K]+ 235.01559 150.3
[M+H-H2O]+ 179.04969 133.4
[M+HCOO]- 241.05063 162.4
[M+CH3COO]- 255.06628 191.5
[M+Na-2H]- 217.02710 151.1
[M]+ 196.05188 140.9
[M]- 196.05298 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