CID 105509939

1240594-58-4

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CC(C)(C)OC(=O)NCC1=NC=C(C=N1)C(=O)O
InChI
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-6-8-12-4-7(5-13-8)9(15)16/h4-5H,6H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
ZMDGGMVEXRHTBS-UHFFFAOYSA-N
Compound name
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

253.10626 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 156.9
[M+Na]+ 276.09548 163.4
[M-H]- 252.09898 156.7
[M+NH4]+ 271.14008 170.3
[M+K]+ 292.06942 162.3
[M+H-H2O]+ 236.10352 149.4
[M+HCOO]- 298.10446 175.4
[M+CH3COO]- 312.12011 192.9
[M+Na-2H]- 274.08093 161.9
[M]+ 253.10571 158.6
[M]- 253.10681 158.6
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.