CID 102462607

Ns00094426

Structural Information

Molecular Formula
C7H10N2O4
SMILES
C1=CN(OC1=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H10N2O4/c8-5(7(11)12)1-3-9-4-2-6(10)13-9/h2,4-5H,1,3,8H2,(H,11,12)/t5-/m0/s1
InChIKey
NBBBAGCVWNMFPG-YFKPBYRVSA-N
Compound name
(2S)-2-amino-4-(5-oxo-1,2-oxazol-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06406 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.071336 137.0
[M+Na]+ 209.053278 144.5
[M-H]- 185.056784 138.5
[M+NH4]+ 204.097883 154.4
[M+K]+ 225.027218 144.5
[M+H-H2O]+ 169.061320 130.6
[M+HCOO]- 231.062261 158.8
[M+CH3COO]- 245.077911 179.2
[M+Na-2H]- 207.038726 140.5
[M]+ 186.06351142 137.7
[M]- 186.06460858 137.7
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

No patent data available for this compound.