CID 70004

1-vinylnaphthalene

Structural Information

Molecular Formula
C12H10
SMILES
C=CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2
InChIKey
IGGDKDTUCAWDAN-UHFFFAOYSA-N
Compound name
1-ethenylnaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

117572
Patents

154.07825 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.085526 129.4
[M+Na]+ 177.067468 138.3
[M-H]- 153.070974 134.2
[M+NH4]+ 172.112073 151.8
[M+K]+ 193.041408 134.3
[M+H-H2O]+ 137.075510 123.8
[M+HCOO]- 199.076451 153.2
[M+CH3COO]- 213.092101 143.9
[M+Na-2H]- 175.052916 138.8
[M]+ 154.07770142 128.8
[M]- 154.07879858 128.8
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