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]+ 193.07201 138.9
[M+Na]+ 215.05395 150.5
[M-H]- 191.05745 137.9
[M+NH4]+ 210.09855 155.5
[M+K]+ 231.02789 147.4
[M+H-H2O]+ 175.06199 130.9
[M+HCOO]- 237.06293 158.6
[M+CH3COO]- 251.07858 180.5
[M+Na-2H]- 213.03940 145.9
[M]+ 192.06418 141.9
[M]- 192.06528 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.