CID 62547

5-aminoacenaphthene

Structural Information

Molecular Formula
C12H11N
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)N
InChI
InChI=1S/C12H11N/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5,13H2
InChIKey
JEUAWMJVEYFVNJ-UHFFFAOYSA-N
Compound name
1,2-dihydroacenaphthylen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

152
Patents

169.08914 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09642 133.5
[M+Na]+ 192.07836 142.6
[M-H]- 168.08186 138.3
[M+NH4]+ 187.12296 158.0
[M+K]+ 208.05230 138.3
[M+H-H2O]+ 152.08640 128.2
[M+HCOO]- 214.08734 156.8
[M+CH3COO]- 228.10299 147.8
[M+Na-2H]- 190.06381 141.3
[M]+ 169.08859 132.4
[M]- 169.08969 132.4
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.