CID 11959077

3-aminochroman-4-one hydrochloride

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1C(C(=O)C2=CC=CC=C2O1)N
InChI
InChI=1S/C9H9NO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7H,5,10H2
InChIKey
GQGXWCHTYSBDRU-UHFFFAOYSA-N
Compound name
3-amino-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

163.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.0
[M+Na]+ 186.05254 143.8
[M+NH4]+ 181.09714 140.3
[M+K]+ 202.02648 137.8
[M-H]- 162.05604 135.5
[M+Na-2H]- 184.03799 136.9
[M]+ 163.06277 134.0
[M]- 163.06387 134.0
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