CID 45602033

1160245-80-6

Structural Information

Molecular Formula
C8H8N4O2
SMILES
CC1=CN2C(=NC(=N2)CC(=O)O)N=C1
InChI
InChI=1S/C8H8N4O2/c1-5-3-9-8-10-6(2-7(13)14)11-12(8)4-5/h3-4H,2H2,1H3,(H,13,14)
InChIKey
ZTMNRZXEKWNFHQ-UHFFFAOYSA-N
Compound name
2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06473 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.072006 138.9
[M+Na]+ 215.053948 150.5
[M-H]- 191.057454 137.9
[M+NH4]+ 210.098553 155.5
[M+K]+ 231.027888 147.4
[M+H-H2O]+ 175.061990 130.9
[M+HCOO]- 237.062931 158.6
[M+CH3COO]- 251.078581 180.5
[M+Na-2H]- 213.039396 145.9
[M]+ 192.06418142 141.9
[M]- 192.06527858 141.9
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.