CID 273273

22158-41-4

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)C2=O)N)O
InChI
InChI=1S/C10H7NO3/c11-7-8(12)5-3-1-2-4-6(5)9(13)10(7)14/h1-4,12H,11H2
InChIKey
XQQDQBRCPNTKQZ-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

189.04259 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 134.8
[M+Na]+ 212.03181 145.1
[M-H]- 188.03531 138.7
[M+NH4]+ 207.07641 154.9
[M+K]+ 228.00575 141.6
[M+H-H2O]+ 172.03985 129.5
[M+HCOO]- 234.04079 157.4
[M+CH3COO]- 248.05644 183.2
[M+Na-2H]- 210.01726 141.0
[M]+ 189.04204 133.4
[M]- 189.04314 133.4
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