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]+ 207.087646 143.8
[M+Na]+ 229.069588 155.9
[M-H]- 205.073094 143.0
[M+NH4]+ 224.114193 160.1
[M+K]+ 245.043528 152.5
[M+H-H2O]+ 189.077630 135.9
[M+HCOO]- 251.078571 163.2
[M+CH3COO]- 265.094221 184.7
[M+Na-2H]- 227.055036 149.5
[M]+ 206.07982142 147.6
[M]- 206.08091858 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