CID 5466055

Nsc673333

Structural Information

Molecular Formula
C14H15NO5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2CNC(C)C(=O)O)O
InChI
InChI=1S/C14H15NO5/c1-7-5-12(17)20-13-9(7)3-4-11(16)10(13)6-15-8(2)14(18)19/h3-5,8,15-16H,6H2,1-2H3,(H,18,19)
InChIKey
PHJZJPUBGIRGCQ-UHFFFAOYSA-N
Compound name
2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09503 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10231 159.9
[M+Na]+ 300.08425 168.0
[M-H]- 276.08775 163.2
[M+NH4]+ 295.12885 174.3
[M+K]+ 316.05819 166.4
[M+H-H2O]+ 260.09229 153.4
[M+HCOO]- 322.09323 178.9
[M+CH3COO]- 336.10888 200.0
[M+Na-2H]- 298.06970 163.8
[M]+ 277.09448 162.7
[M]- 277.09558 162.7
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.