CID 1092114

842955-63-9

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 148.2
[M+Na]+ 243.08524 161.2
[M+NH4]+ 238.12984 154.0
[M+K]+ 259.05918 158.2
[M-H]- 219.08874 146.8
[M+Na-2H]- 241.07069 152.5
[M]+ 220.09547 149.4
[M]- 220.09657 149.4
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.