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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	280.129196	166.3
[M+Na]+	302.111138	171.5
[M-H]-	278.114644	167.4
[M+NH4]+	297.155743	171.0
[M+K]+	318.085078	173.1
[M+H-H2O]+	262.119180	152.3
[M+HCOO]-	324.120121	179.7
[M+CH3COO]-	338.135771	199.1
[M+Na-2H]-	300.096586	168.2
[M]+	279.12137142	175.7
[M]-	279.12246858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.