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]+ 184.07167 136.8
[M+Na]+ 206.05361 145.6
[M-H]- 182.05711 136.6
[M+NH4]+ 201.09821 153.0
[M+K]+ 222.02755 143.9
[M+H-H2O]+ 166.06165 129.6
[M+HCOO]- 228.06259 158.2
[M+CH3COO]- 242.07824 180.9
[M+Na-2H]- 204.03906 142.3
[M]+ 183.06384 137.1
[M]- 183.06494 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.