CID 9603130

Dtxsid70897106

Structural Information

Molecular Formula
C11H9N3O2
SMILES
C1=CC=C2C=C(C=CC2=C1)N/N=C/[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O2/c15-14(16)8-12-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-8,13H/b12-8+
InChIKey
YYXCMCDLDSISNV-XYOKQWHBSA-N
Compound name
N-[(E)-nitromethylideneamino]naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

215.06947 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 140.4
[M+Na]+ 238.058688 146.7
[M-H]- 214.062194 146.1
[M+NH4]+ 233.103293 158.9
[M+K]+ 254.032628 140.1
[M+H-H2O]+ 198.066730 137.7
[M+HCOO]- 260.067671 168.9
[M+CH3COO]- 274.083321 188.0
[M+Na-2H]- 236.044136 152.3
[M]+ 215.06892142 138.7
[M]- 215.07001858 138.7
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.