CID 46153

14415-44-2

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1N
InChI
InChI=1S/C9H7NO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2
InChIKey
ZOJAINJCZSVZGW-UHFFFAOYSA-N
Compound name
6-aminochromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

326
Patents

161.04768 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 127.7
[M+Na]+ 184.03690 138.0
[M-H]- 160.04040 133.5
[M+NH4]+ 179.08150 148.2
[M+K]+ 200.01084 136.4
[M+H-H2O]+ 144.04494 122.0
[M+HCOO]- 206.04588 152.4
[M+CH3COO]- 220.06153 178.5
[M+Na-2H]- 182.02235 138.1
[M]+ 161.04713 128.4
[M]- 161.04823 128.4
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