CID 54132968

Carboxin m12-p

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=CC=C(C=C1)NC(=O)C(C(=O)O)O
InChI
InChI=1S/C9H9NO4/c11-7(9(13)14)8(12)10-6-4-2-1-3-5-6/h1-5,7,11H,(H,10,12)(H,13,14)
InChIKey
NVQXMOSQNCUHHE-UHFFFAOYSA-N
Compound name
3-anilino-2-hydroxy-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

195.05316 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 140.7
[M+Na]+ 218.04238 149.4
[M+NH4]+ 213.08698 146.4
[M+K]+ 234.01632 146.8
[M-H]- 194.04588 140.1
[M+Na-2H]- 216.02783 144.7
[M]+ 195.05261 141.2
[M]- 195.05371 141.2
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

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