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 153.1
[M+Na]+ 258.09614 164.7
[M-H]- 234.09964 152.2
[M+NH4]+ 253.14074 168.0
[M+K]+ 274.07008 160.7
[M+H-H2O]+ 218.10418 145.1
[M+HCOO]- 280.10512 172.6
[M+CH3COO]- 294.12077 193.4
[M+Na-2H]- 256.08159 157.1
[M]+ 235.10637 156.0
[M]- 235.10747 156.0
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.