CID 5140517

N-(5-nitronaphthalen-1-yl)hydroxylamine

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)NO
InChI
InChI=1S/C10H8N2O3/c13-11-9-5-1-4-8-7(9)3-2-6-10(8)12(14)15/h1-6,11,13H
InChIKey
RKZIQUUOZPRGHX-UHFFFAOYSA-N
Compound name
N-(5-nitronaphthalen-1-yl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.0535 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 136.6
[M+Na]+ 227.04272 143.9
[M-H]- 203.04622 140.3
[M+NH4]+ 222.08732 154.9
[M+K]+ 243.01666 136.9
[M+H-H2O]+ 187.05076 135.1
[M+HCOO]- 249.05170 161.6
[M+CH3COO]- 263.06735 179.5
[M+Na-2H]- 225.02817 147.3
[M]+ 204.05295 134.2
[M]- 204.05405 134.2
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

patents stripe