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
1
Annotation Hits

11
References

116981
Patents

154.07825 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08553 129.4
[M+Na]+ 177.06747 138.3
[M-H]- 153.07097 134.2
[M+NH4]+ 172.11207 151.8
[M+K]+ 193.04141 134.3
[M+H-H2O]+ 137.07551 123.8
[M+HCOO]- 199.07645 153.2
[M+CH3COO]- 213.09210 143.9
[M+Na-2H]- 175.05292 138.8
[M]+ 154.07770 128.8
[M]- 154.07880 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.