CID 57486047

Ethyl 2-amino-3-(pyrimidin-2-yl)propanoate dihydrochloride

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCOC(=O)C(CC1=NC=CC=N1)N
InChI
InChI=1S/C9H13N3O2/c1-2-14-9(13)7(10)6-8-11-4-3-5-12-8/h3-5,7H,2,6,10H2,1H3
InChIKey
PLIIKNFGDFKPLE-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-pyrimidin-2-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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 143.1
[M+Na]+ 218.08999 149.4
[M-H]- 194.09349 143.3
[M+NH4]+ 213.13459 159.0
[M+K]+ 234.06393 148.2
[M+H-H2O]+ 178.09803 135.1
[M+HCOO]- 240.09897 164.2
[M+CH3COO]- 254.11462 185.1
[M+Na-2H]- 216.07544 148.3
[M]+ 195.10022 143.1
[M]- 195.10132 143.1
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

patents stripe