CID 84021416

2375271-54-6

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CC(C1)(C2=NC=NN2)C(=O)O
InChI
InChI=1S/C7H9N3O2/c11-6(12)7(2-1-3-7)5-8-4-9-10-5/h4H,1-3H2,(H,11,12)(H,8,9,10)
InChIKey
LGWMNUCSBGETSK-UHFFFAOYSA-N
Compound name
1-(1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 134.6
[M+Na]+ 190.05869 139.7
[M+NH4]+ 185.10329 138.1
[M+K]+ 206.03263 138.1
[M-H]- 166.06219 130.8
[M+Na-2H]- 188.04414 138.1
[M]+ 167.06892 132.8
[M]- 167.07002 132.8
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.