CID 137838536

2137749-25-6

Structural Information

Molecular Formula
C8H9N3O3
SMILES
C1C(CC1=O)CN2C=C(N=N2)C(=O)O
InChI
InChI=1S/C8H9N3O3/c12-6-1-5(2-6)3-11-4-7(8(13)14)9-10-11/h4-5H,1-3H2,(H,13,14)
InChIKey
DARZWVFPPOQGSQ-UHFFFAOYSA-N
Compound name
1-[(3-oxocyclobutyl)methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06439 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 138.4
[M+Na]+ 218.053608 145.3
[M-H]- 194.057114 140.0
[M+NH4]+ 213.098213 148.1
[M+K]+ 234.027548 146.6
[M+H-H2O]+ 178.061650 125.5
[M+HCOO]- 240.062591 156.6
[M+CH3COO]- 254.078241 183.2
[M+Na-2H]- 216.039056 140.9
[M]+ 195.06384142 146.8
[M]- 195.06493858 146.8
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.