CID 286368

61631-80-9

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1CC2=CC=C(C3=C(C=CC1=C23)N)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O2/c13-9-5-3-7-1-2-8-4-6-10(14(15)16)12(9)11(7)8/h3-6H,1-2,13H2
InChIKey
IYLGGBYTVZQMAU-UHFFFAOYSA-N
Compound name
6-nitro-1,2-dihydroacenaphthylen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

214.07423 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 142.1
[M+Na]+ 237.06345 149.9
[M-H]- 213.06695 146.9
[M+NH4]+ 232.10805 163.6
[M+K]+ 253.03739 142.2
[M+H-H2O]+ 197.07149 141.0
[M+HCOO]- 259.07243 166.1
[M+CH3COO]- 273.08808 185.8
[M+Na-2H]- 235.04890 150.5
[M]+ 214.07368 140.2
[M]- 214.07478 140.2
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