CID 55263191

2411227-39-7

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]+ 196.108046 142.8
[M+Na]+ 218.089988 150.4
[M-H]- 194.093494 143.3
[M+NH4]+ 213.134593 159.1
[M+K]+ 234.063928 148.6
[M+H-H2O]+ 178.098030 134.9
[M+HCOO]- 240.098971 164.9
[M+CH3COO]- 254.114621 185.4
[M+Na-2H]- 216.075436 148.5
[M]+ 195.10022142 143.8
[M]- 195.10131858 143.8
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.