CID 33293

26078-24-0

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC1=CC2=C(C=C1NC)OC(=O)C=C2C
InChI
InChI=1S/C12H13NO2/c1-7-5-12(14)15-11-6-10(13-3)8(2)4-9(7)11/h4-6,13H,1-3H3
InChIKey
RIZOSFDXIXBLIP-UHFFFAOYSA-N
Compound name
4,6-dimethyl-7-(methylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 141.3
[M+Na]+ 226.08386 152.2
[M-H]- 202.08736 147.8
[M+NH4]+ 221.12846 161.0
[M+K]+ 242.05780 150.3
[M+H-H2O]+ 186.09190 135.4
[M+HCOO]- 248.09284 165.5
[M+CH3COO]- 262.10849 190.7
[M+Na-2H]- 224.06931 149.6
[M]+ 203.09409 144.8
[M]- 203.09519 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe