CID 1221

Ampa

Structural Information

Molecular Formula
C7H10N2O4
SMILES
CC1=C(C(=O)NO1)CC(C(=O)O)N
InChI
InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKey
UUDAMDVQRQNNHZ-UHFFFAOYSA-N
Compound name
2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4054
References

10037
Patents

186.06406 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07134 137.6
[M+Na]+ 209.05328 145.6
[M-H]- 185.05678 138.1
[M+NH4]+ 204.09788 154.6
[M+K]+ 225.02722 144.7
[M+H-H2O]+ 169.06132 131.7
[M+HCOO]- 231.06226 157.9
[M+CH3COO]- 245.07791 178.2
[M+Na-2H]- 207.03873 139.8
[M]+ 186.06351 136.8
[M]- 186.06461 136.8
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