CID 5384392

81028-96-8

Structural Information

Molecular Formula
C14H15NO5
SMILES
CC1=CC(=O)OC2=C1C=C(C(=C2)O)CN(C)CC(=O)O
InChI
InChI=1S/C14H15NO5/c1-8-3-14(19)20-12-5-11(16)9(4-10(8)12)6-15(2)7-13(17)18/h3-5,16H,6-7H2,1-2H3,(H,17,18)
InChIKey
KRMRPQPGZHQMDD-UHFFFAOYSA-N
Compound name
2-[(7-hydroxy-4-methyl-2-oxochromen-6-yl)methyl-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.09503 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10231 159.3
[M+Na]+ 300.08425 167.9
[M-H]- 276.08775 164.0
[M+NH4]+ 295.12885 174.5
[M+K]+ 316.05819 167.1
[M+H-H2O]+ 260.09229 152.6
[M+HCOO]- 322.09323 179.9
[M+CH3COO]- 336.10888 202.2
[M+Na-2H]- 298.06970 163.7
[M]+ 277.09448 164.0
[M]- 277.09558 164.0
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

No patent data available for this compound.