CID 129367

106562-32-7

Structural Information

Molecular Formula
C12H11NO4
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)O
InChI
InChI=1S/C12H11NO4/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4H,5,13H2,1H3,(H,14,15)
InChIKey
QEQDLKUMPUDNPG-UHFFFAOYSA-N
Compound name
2-(7-amino-4-methyl-2-oxochromen-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

3104
Patents

233.0688 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 148.2
[M+Na]+ 256.05802 161.2
[M+NH4]+ 251.10262 155.2
[M+K]+ 272.03196 156.5
[M-H]- 232.06152 151.1
[M+Na-2H]- 254.04347 152.5
[M]+ 233.06825 150.7
[M]- 233.06935 150.7
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