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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.