CID 170901818

2353836-09-4

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2=NOC(=C2)C(=O)O
InChI
InChI=1S/C13H18N2O5/c1-13(2,3)19-12(18)15-5-4-8(7-15)9-6-10(11(16)17)20-14-9/h6,8H,4-5,7H2,1-3H3,(H,16,17)
InChIKey
RSFDDXRSWTXBOU-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12158 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12886 163.4
[M+Na]+ 305.11080 169.6
[M-H]- 281.11430 167.3
[M+NH4]+ 300.15540 178.1
[M+K]+ 321.08474 170.1
[M+H-H2O]+ 265.11884 157.3
[M+HCOO]- 327.11978 179.6
[M+CH3COO]- 341.13543 194.1
[M+Na-2H]- 303.09625 163.2
[M]+ 282.12103 165.3
[M]- 282.12213 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.