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]+ 182.09241 138.3
[M+Na]+ 204.07435 146.3
[M-H]- 180.07785 138.9
[M+NH4]+ 199.11895 155.1
[M+K]+ 220.04829 144.8
[M+H-H2O]+ 164.08239 130.6
[M+HCOO]- 226.08333 160.7
[M+CH3COO]- 240.09898 182.4
[M+Na-2H]- 202.05980 144.5
[M]+ 181.08458 138.9
[M]- 181.08568 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.