CID 8481465

Ns00116404

Structural Information

Molecular Formula
C12H13NO3
SMILES
CN(C)CC1=CC(=O)OC2=C1C=CC(=C2)O
InChI
InChI=1S/C12H13NO3/c1-13(2)7-8-5-12(15)16-11-6-9(14)3-4-10(8)11/h3-6,14H,7H2,1-2H3
InChIKey
KKITYPITUYVFAA-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.08954 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 144.9
[M+Na]+ 242.07876 154.4
[M-H]- 218.08226 151.1
[M+NH4]+ 237.12336 163.4
[M+K]+ 258.05270 153.5
[M+H-H2O]+ 202.08680 138.5
[M+HCOO]- 264.08774 168.3
[M+CH3COO]- 278.10339 192.5
[M+Na-2H]- 240.06421 152.7
[M]+ 219.08899 148.8
[M]- 219.09009 148.8
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.