CID 55263191

Ethyl 2-(2-aminoethyl)pyrimidine-4-carboxylate dihydrochloride

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCOC(=O)C1=NC(=NC=C1)CCN
InChI
InChI=1S/C9H13N3O2/c1-2-14-9(13)7-4-6-11-8(12-7)3-5-10/h4,6H,2-3,5,10H2,1H3
InChIKey
XFFYWHDZFHJISI-UHFFFAOYSA-N
Compound name
ethyl 2-(2-aminoethyl)pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.6
[M+Na]+ 218.08999 153.6
[M+NH4]+ 213.13459 148.9
[M+K]+ 234.06393 148.6
[M-H]- 194.09349 142.8
[M+Na-2H]- 216.07544 148.0
[M]+ 195.10022 143.9
[M]- 195.10132 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.