CID 139016569

2344686-08-2

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₄

SMILES

CC(C)(C)OC(=O)NC1(CC1)C2=NC=CC(=N2)C(=O)O

InChI

InChI=1S/C13H17N3O4/c1-12(2,3)20-11(19)16-13(5-6-13)10-14-7-4-8(15-10)9(17)18/h4,7H,5-6H2,1-3H3,(H,16,19)(H,17,18)

InChIKey

UMVMELAAHPSVFA-UHFFFAOYSA-N

Compound name

2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrimidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.12192 Da
Monoisotopic Mass: 0.9
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	167.8
[M+Na]+	302.111138	176.1
[M-H]-	278.114644	171.6
[M+NH4]+	297.155743	177.4
[M+K]+	318.085078	173.5
[M+H-H2O]+	262.119180	161.3
[M+HCOO]-	324.120121	186.0
[M+CH3COO]-	338.135771	199.6
[M+Na-2H]-	300.096586	173.1
[M]+	279.12137142	171.9
[M]-	279.12246858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.