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: 4
Patents: 191.09464 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe