CID 55262730

Ethyl 6-(aminomethyl)pyrimidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CCOC(=O)C1=NC=NC(=C1)CN
InChI
InChI=1S/C8H11N3O2/c1-2-13-8(12)7-3-6(4-9)10-5-11-7/h3,5H,2,4,9H2,1H3
InChIKey
ZLLNEXJBVHVZHI-UHFFFAOYSA-N
Compound name
ethyl 6-(aminomethyl)pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 138.3
[M+Na]+ 204.074348 146.3
[M-H]- 180.077854 138.9
[M+NH4]+ 199.118953 155.1
[M+K]+ 220.048288 144.8
[M+H-H2O]+ 164.082390 130.6
[M+HCOO]- 226.083331 160.7
[M+CH3COO]- 240.098981 182.4
[M+Na-2H]- 202.059796 144.5
[M]+ 181.08458142 138.9
[M]- 181.08567858 138.9
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.