CID 249894

2-amino-3-(2-aminopyrimidin-4-yl)propanoic acid

Structural Information

Molecular Formula
C7H10N4O2
SMILES
C1=CN=C(N=C1CC(C(=O)O)N)N
InChI
InChI=1S/C7H10N4O2/c8-5(6(12)13)3-4-1-2-10-7(9)11-4/h1-2,5H,3,8H2,(H,12,13)(H2,9,10,11)
InChIKey
LIRGSTWGMWYHBN-UHFFFAOYSA-N
Compound name
2-amino-3-(2-aminopyrimidin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

182.08037 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.087646 138.4
[M+Na]+ 205.069588 145.2
[M-H]- 181.073094 137.4
[M+NH4]+ 200.114193 153.6
[M+K]+ 221.043528 143.2
[M+H-H2O]+ 165.077630 130.8
[M+HCOO]- 227.078571 159.0
[M+CH3COO]- 241.094221 183.1
[M+Na-2H]- 203.055036 142.7
[M]+ 182.07982142 134.5
[M]- 182.08091858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe