CID 71743281

1447607-17-1

Structural Information

Molecular Formula
C13H17N3O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NC=C(C=N2)C(=O)O
InChI
InChI=1S/C13H17N3O4/c1-13(2,3)20-12(19)16-6-9(7-16)10-14-4-8(5-15-10)11(17)18/h4-5,9H,6-7H2,1-3H3,(H,17,18)
InChIKey
QFYSQDJFSICJHI-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12192 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12920 165.4
[M+Na]+ 302.11114 170.8
[M+NH4]+ 297.15574 165.4
[M+K]+ 318.08508 170.3
[M-H]- 278.11464 161.0
[M+Na-2H]- 300.09659 166.3
[M]+ 279.12137 163.4
[M]- 279.12247 163.4
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.