CID 22868923

Pf-04859989

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1[C@@H](C(=O)N(C2=CC=CC=C21)O)N
InChI
InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1
InChIKey
HYTRYTZFJVVZAF-ZETCQYMHSA-N
Compound name
(3S)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

31
Patents

178.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 135.3
[M+Na]+ 201.06345 143.9
[M-H]- 177.06695 137.0
[M+NH4]+ 196.10805 154.3
[M+K]+ 217.03739 140.6
[M+H-H2O]+ 161.07149 129.1
[M+HCOO]- 223.07243 155.1
[M+CH3COO]- 237.08808 180.5
[M+Na-2H]- 199.04890 141.6
[M]+ 178.07368 131.5
[M]- 178.07478 131.5
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