CID 129950379

1240596-36-4

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CC1=NC(=NC=C1C(=O)O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H17N3O4/c1-7-8(10(16)17)5-13-9(15-7)6-14-11(18)19-12(2,3)4/h5H,6H2,1-4H3,(H,14,18)(H,16,17)
InChIKey
ICVCTQAYUKVCDZ-UHFFFAOYSA-N
Compound name
4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12192 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 161.2
[M+Na]+ 290.11114 168.2
[M-H]- 266.11464 161.3
[M+NH4]+ 285.15574 174.4
[M+K]+ 306.08508 167.0
[M+H-H2O]+ 250.11918 153.9
[M+HCOO]- 312.12012 179.4
[M+CH3COO]- 326.13577 197.2
[M+Na-2H]- 288.09659 165.0
[M]+ 267.12137 163.7
[M]- 267.12247 163.7
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.