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
6
Annotation Hits

324
References

35482
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 129.8
[M+Na]+ 177.06747 138.7
[M-H]- 153.07097 134.8
[M+NH4]+ 172.11207 155.2
[M+K]+ 193.04141 134.8
[M+H-H2O]+ 137.07551 124.5
[M+HCOO]- 199.07645 152.7
[M+CH3COO]- 213.09210 144.4
[M+Na-2H]- 175.05292 138.7
[M]+ 154.07770 129.9
[M]- 154.07880 129.9
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