CID 14639222

127958-00-3

Structural Information

Molecular Formula
C7H9N3O3
SMILES
COCC1=NC(=NC=C1C(=O)O)N
InChI
InChI=1S/C7H9N3O3/c1-13-3-5-4(6(11)12)2-9-7(8)10-5/h2H,3H2,1H3,(H,11,12)(H2,8,9,10)
InChIKey
MLTOOLRXORLYOJ-UHFFFAOYSA-N
Compound name
2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06439 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.071666 136.8
[M+Na]+ 206.053608 145.6
[M-H]- 182.057114 136.6
[M+NH4]+ 201.098213 153.0
[M+K]+ 222.027548 143.9
[M+H-H2O]+ 166.061650 129.6
[M+HCOO]- 228.062591 158.2
[M+CH3COO]- 242.078241 180.9
[M+Na-2H]- 204.039056 142.3
[M]+ 183.06384142 137.1
[M]- 183.06493858 137.1
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.