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]+ 196.07167 138.4
[M+Na]+ 218.05361 145.3
[M-H]- 194.05711 140.0
[M+NH4]+ 213.09821 148.1
[M+K]+ 234.02755 146.6
[M+H-H2O]+ 178.06165 125.5
[M+HCOO]- 240.06259 156.6
[M+CH3COO]- 254.07824 183.2
[M+Na-2H]- 216.03906 140.9
[M]+ 195.06384 146.8
[M]- 195.06494 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.