CID 6734

Acenaphthene

Structural Information

Molecular Formula
C12H10
SMILES
C1CC2=CC=CC3=C2C1=CC=C3
InChI
InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
InChIKey
CWRYPZZKDGJXCA-UHFFFAOYSA-N
Compound name
1,2-dihydroacenaphthylene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

324
References

24330
Patents

154.07825 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08553 129.3
[M+Na]+ 177.06747 144.3
[M+NH4]+ 172.11207 141.5
[M+K]+ 193.04141 137.0
[M-H]- 153.07097 133.6
[M+Na-2H]- 175.05292 136.9
[M]+ 154.07770 132.9
[M]- 154.07880 132.9
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