CID 1092114

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid

Structural Information

Molecular Formula
C10H12N4O2
SMILES
CC1=C(C(=NC2=NC=NN12)C)CCC(=O)O
InChI
InChI=1S/C10H12N4O2/c1-6-8(3-4-9(15)16)7(2)14-10(13-6)11-5-12-14/h5H,3-4H2,1-2H3,(H,15,16)
InChIKey
NWSSSDXVQWXROX-UHFFFAOYSA-N
Compound name
3-(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

6
References

0
Patents

220.09602 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 148.3
[M+Na]+ 243.08524 160.0
[M-H]- 219.08874 147.4
[M+NH4]+ 238.12984 164.1
[M+K]+ 259.05918 156.4
[M+H-H2O]+ 203.09328 140.3
[M+HCOO]- 265.09422 167.4
[M+CH3COO]- 279.10987 187.7
[M+Na-2H]- 241.07069 153.5
[M]+ 220.09547 152.5
[M]- 220.09657 152.5
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

No patent data available for this compound.