CID 22799514

2137143-79-2

Structural Information

Molecular Formula
C10H10N2O4
SMILES
C1=CC2=C(C=C1C[C@@H](C(=O)O)N)NC(=O)O2
InChI
InChI=1S/C10H10N2O4/c11-6(9(13)14)3-5-1-2-8-7(4-5)12-10(15)16-8/h1-2,4,6H,3,11H2,(H,12,15)(H,13,14)/t6-/m0/s1
InChIKey
AIPBFPFNGXVCLT-LURJTMIESA-N
Compound name
(2S)-2-amino-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

222.06406 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 144.5
[M+Na]+ 245.05328 153.6
[M-H]- 221.05678 146.3
[M+NH4]+ 240.09788 161.2
[M+K]+ 261.02722 151.4
[M+H-H2O]+ 205.06132 138.4
[M+HCOO]- 267.06226 165.2
[M+CH3COO]- 281.07791 184.6
[M+Na-2H]- 243.03873 149.3
[M]+ 222.06351 145.4
[M]- 222.06461 145.4
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

patents stripe