CID 102221859

1511857-57-0

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC(=CO2)C(=O)O
InChI
InChI=1S/C13H18N2O5/c1-13(2,3)20-12(18)15-6-4-5-9(15)10-14-8(7-19-10)11(16)17/h7,9H,4-6H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKey
VSNMUDHKMKZIBF-VIFPVBQESA-N
Compound name
2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12158 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.128856 163.4
[M+Na]+ 305.110798 169.6
[M-H]- 281.114304 167.3
[M+NH4]+ 300.155403 178.1
[M+K]+ 321.084738 170.1
[M+H-H2O]+ 265.118840 157.3
[M+HCOO]- 327.119781 179.6
[M+CH3COO]- 341.135431 194.1
[M+Na-2H]- 303.096246 163.2
[M]+ 282.12103142 165.3
[M]- 282.12212858 165.3
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.