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
2
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]+ 216.07675 140.4
[M+Na]+ 238.05869 146.7
[M-H]- 214.06219 146.1
[M+NH4]+ 233.10329 158.9
[M+K]+ 254.03263 140.1
[M+H-H2O]+ 198.06673 137.7
[M+HCOO]- 260.06767 168.9
[M+CH3COO]- 274.08332 188.0
[M+Na-2H]- 236.04414 152.3
[M]+ 215.06892 138.7
[M]- 215.07002 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.