CID 82539654

1369118-10-4

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1=C(C=NC=N1)NCCC(=O)O
InChI
InChI=1S/C7H9N3O2/c11-7(12)1-2-10-6-3-8-5-9-4-6/h3-5,10H,1-2H2,(H,11,12)
InChIKey
MUJONISMLLUZAJ-UHFFFAOYSA-N
Compound name
3-(pyrimidin-5-ylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 133.5
[M+Na]+ 190.05869 140.4
[M-H]- 166.06219 133.0
[M+NH4]+ 185.10329 150.0
[M+K]+ 206.03263 138.6
[M+H-H2O]+ 150.06673 125.9
[M+HCOO]- 212.06767 155.3
[M+CH3COO]- 226.08332 176.9
[M+Na-2H]- 188.04414 141.5
[M]+ 167.06892 132.5
[M]- 167.07002 132.5
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.