CID 40624

2-hydroxyamino-1,4-naphthoquinone

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)N=O)O
InChI
InChI=1S/C10H7NO3/c12-9-5-8(11-14)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H
InChIKey
DUMLSLRXBWAHRX-UHFFFAOYSA-N
Compound name
2-nitrosonaphthalene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

189.04259 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 134.0
[M+Na]+ 212.031808 144.1
[M-H]- 188.035314 138.4
[M+NH4]+ 207.076413 154.3
[M+K]+ 228.005748 141.4
[M+H-H2O]+ 172.039850 128.3
[M+HCOO]- 234.040791 158.6
[M+CH3COO]- 248.056441 183.0
[M+Na-2H]- 210.017256 142.9
[M]+ 189.04204142 135.4
[M]- 189.04313858 135.4
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