CID 68868383

8-aminochroman-4-one

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1COC2=C(C1=O)C=CC=C2N
InChI
InChI=1S/C9H9NO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5,10H2
InChIKey
MNTDTOWNMVZUMU-UHFFFAOYSA-N
Compound name
8-amino-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

163.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 130.1
[M+Na]+ 186.05254 138.4
[M-H]- 162.05604 135.1
[M+NH4]+ 181.09714 150.3
[M+K]+ 202.02648 137.1
[M+H-H2O]+ 146.06058 124.4
[M+HCOO]- 208.06152 151.9
[M+CH3COO]- 222.07717 179.1
[M+Na-2H]- 184.03799 138.5
[M]+ 163.06277 127.9
[M]- 163.06387 127.9
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