CID 4962380

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

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CC1=C(C(=NC2=NC=NN12)C)CC(=O)O
InChI
InChI=1S/C9H10N4O2/c1-5-7(3-8(14)15)6(2)13-9(12-5)10-4-11-13/h4H,3H2,1-2H3,(H,14,15)
InChIKey
OXMKLBYGIXUDJP-UHFFFAOYSA-N
Compound name
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

206.08037 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 143.8
[M+Na]+ 229.06959 155.9
[M-H]- 205.07309 143.0
[M+NH4]+ 224.11419 160.1
[M+K]+ 245.04353 152.5
[M+H-H2O]+ 189.07763 135.9
[M+HCOO]- 251.07857 163.2
[M+CH3COO]- 265.09422 184.7
[M+Na-2H]- 227.05504 149.5
[M]+ 206.07982 147.6
[M]- 206.08092 147.6
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

patents stripe