CID 10511282

3-(pyrimidin-2-ylamino)propanoic acid

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1=CN=C(N=C1)NCCC(=O)O
InChI
InChI=1S/C7H9N3O2/c11-6(12)2-5-10-7-8-3-1-4-9-7/h1,3-4H,2,5H2,(H,11,12)(H,8,9,10)
InChIKey
RLUIOCBJPMRKTQ-UHFFFAOYSA-N
Compound name
3-(pyrimidin-2-ylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

167.06947 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 133.9
[M+Na]+ 190.05869 144.7
[M+NH4]+ 185.10329 140.3
[M+K]+ 206.03263 140.1
[M-H]- 166.06219 133.8
[M+Na-2H]- 188.04414 139.9
[M]+ 167.06892 135.0
[M]- 167.07002 135.0
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