CID 4962635

847744-18-7

Structural Information

Molecular Formula
C10H13N5O2
SMILES
CC1=C(C(=NC2=NC(=NN12)N)C)CCC(=O)O
InChI
InChI=1S/C10H13N5O2/c1-5-7(3-4-8(16)17)6(2)15-10(12-5)13-9(11)14-15/h3-4H2,1-2H3,(H2,11,14)(H,16,17)
InChIKey
PDYNQGAMQMTOEJ-UHFFFAOYSA-N
Compound name
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.10692 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 152.0
[M+Na]+ 258.09614 163.7
[M+NH4]+ 253.14074 157.1
[M+K]+ 274.07008 161.6
[M-H]- 234.09964 150.7
[M+Na-2H]- 256.08159 155.3
[M]+ 235.10637 152.9
[M]- 235.10747 152.9
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.