CID 84663223

8-amino-2,2-dimethyl-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1(CC(=O)C2=C(O1)C(=CC=C2)N)C
InChI
InChI=1S/C11H13NO2/c1-11(2)6-9(13)7-4-3-5-8(12)10(7)14-11/h3-5H,6,12H2,1-2H3
InChIKey
CGVDZHDACJPWOQ-UHFFFAOYSA-N
Compound name
8-amino-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 139.1
[M+Na]+ 214.08386 148.4
[M-H]- 190.08736 144.5
[M+NH4]+ 209.12846 160.5
[M+K]+ 230.05780 146.9
[M+H-H2O]+ 174.09190 133.8
[M+HCOO]- 236.09284 160.1
[M+CH3COO]- 250.10849 185.9
[M+Na-2H]- 212.06931 146.8
[M]+ 191.09409 138.3
[M]- 191.09519 138.3
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

No patent data available for this compound.