CID 25417257

186774-62-9

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)8-5-7(12)3-4-10(8)14-11/h3-5H,6,12H2,1-2H3
InChIKey
RLSGWLLNYBYPSZ-UHFFFAOYSA-N
Compound name
6-amino-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

191.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 139.1
[M+Na]+ 214.083858 148.4
[M-H]- 190.087364 144.5
[M+NH4]+ 209.128463 160.5
[M+K]+ 230.057798 146.9
[M+H-H2O]+ 174.091900 133.8
[M+HCOO]- 236.092841 160.1
[M+CH3COO]- 250.108491 185.9
[M+Na-2H]- 212.069306 146.8
[M]+ 191.09409142 138.3
[M]- 191.09518858 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

patents stripe