CID 132342253

2137072-30-9

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CO[C@H]1CCN(C1)CC2=NC(=CO2)C(=O)O
InChI
InChI=1S/C10H14N2O4/c1-15-7-2-3-12(4-7)5-9-11-8(6-16-9)10(13)14/h6-7H,2-5H2,1H3,(H,13,14)/t7-/m0/s1
InChIKey
NSVUTRHXKQILHJ-ZETCQYMHSA-N
Compound name
2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09535 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 148.0
[M+Na]+ 249.08457 155.0
[M-H]- 225.08807 151.6
[M+NH4]+ 244.12917 164.7
[M+K]+ 265.05851 155.0
[M+H-H2O]+ 209.09261 141.0
[M+HCOO]- 271.09355 167.3
[M+CH3COO]- 285.10920 184.4
[M+Na-2H]- 247.07002 148.9
[M]+ 226.09480 149.3
[M]- 226.09590 149.3
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

No patent data available for this compound.