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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12920 167.8
[M+Na]+ 302.11114 176.1
[M-H]- 278.11464 171.6
[M+NH4]+ 297.15574 177.4
[M+K]+ 318.08508 173.5
[M+H-H2O]+ 262.11918 161.3
[M+HCOO]- 324.12012 186.0
[M+CH3COO]- 338.13577 199.6
[M+Na-2H]- 300.09659 173.1
[M]+ 279.12137 171.9
[M]- 279.12247 171.9
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.