CID 123357

1-ethynylnaphthalene

Structural Information

Molecular Formula
C12H8
SMILES
C#CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C12H8/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h1,3-9H
InChIKey
MCZUXEWWARACSP-UHFFFAOYSA-N
Compound name
1-ethynylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1582
Patents

152.0626 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.069876 134.1
[M+Na]+ 175.051818 146.0
[M-H]- 151.055324 137.2
[M+NH4]+ 170.096423 154.1
[M+K]+ 191.025758 139.0
[M+H-H2O]+ 135.059860 122.8
[M+HCOO]- 197.060801 152.0
[M+CH3COO]- 211.076451 146.7
[M+Na-2H]- 173.037266 141.9
[M]+ 152.06205142 128.3
[M]- 152.06314858 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe