CID 115017

2-ethynylnaphthalene

Structural Information

Molecular Formula
C12H8
SMILES
C#CC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C12H8/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h1,3-9H
InChIKey
IZXPFTLEVNQLGD-UHFFFAOYSA-N
Compound name
2-ethynylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

646
Patents

152.0626 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06988 134.1
[M+Na]+ 175.05182 146.0
[M-H]- 151.05532 137.2
[M+NH4]+ 170.09642 154.1
[M+K]+ 191.02576 139.0
[M+H-H2O]+ 135.05986 122.8
[M+HCOO]- 197.06080 152.0
[M+CH3COO]- 211.07645 146.7
[M+Na-2H]- 173.03727 141.9
[M]+ 152.06205 128.3
[M]- 152.06315 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