CID 3049520

4h-1-benzopyran-4-one, 2-(dimethylamino)-7-methyl-

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC1=CC2=C(C=C1)C(=O)C=C(O2)N(C)C
InChI
InChI=1S/C12H13NO2/c1-8-4-5-9-10(14)7-12(13(2)3)15-11(9)6-8/h4-7H,1-3H3
InChIKey
JLEFAVXYFPQIES-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-7-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 141.2
[M+Na]+ 226.08386 151.2
[M-H]- 202.08736 148.7
[M+NH4]+ 221.12846 161.1
[M+K]+ 242.05780 150.7
[M+H-H2O]+ 186.09190 134.8
[M+HCOO]- 248.09284 165.9
[M+CH3COO]- 262.10849 192.9
[M+Na-2H]- 224.06931 149.4
[M]+ 203.09409 145.4
[M]- 203.09519 145.4
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.