CID 138007930

2241128-90-3

Structural Information

Molecular Formula
C8H11N3O3
SMILES
CN1C(=NN(C1=O)CC(=O)O)C2CC2
InChI
InChI=1S/C8H11N3O3/c1-10-7(5-2-3-5)9-11(8(10)14)4-6(12)13/h5H,2-4H2,1H3,(H,12,13)
InChIKey
NPDUWKVNLWKEBE-UHFFFAOYSA-N
Compound name
2-(3-cyclopropyl-4-methyl-5-oxo-1,2,4-triazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08005 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08733 145.1
[M+Na]+ 220.06927 157.1
[M+NH4]+ 215.11387 151.1
[M+K]+ 236.04321 156.5
[M-H]- 196.07277 150.9
[M+Na-2H]- 218.05472 151.1
[M]+ 197.07950 149.2
[M]- 197.08060 149.2
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.