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

117
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

literature stripe

Patent stripe

patents stripe