CID 145910343

2378502-87-3

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1C(CC1N2C=NN=C2)CC(=O)O
InChI
InChI=1S/C8H11N3O2/c12-8(13)3-6-1-7(2-6)11-4-9-10-5-11/h4-7H,1-3H2,(H,12,13)
InChIKey
JWTSYWQBJHXXLF-UHFFFAOYSA-N
Compound name
2-[3-(1,2,4-triazol-4-yl)cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 136.5
[M+Na]+ 204.07435 142.6
[M-H]- 180.07785 137.7
[M+NH4]+ 199.11895 146.8
[M+K]+ 220.04829 143.9
[M+H-H2O]+ 164.08239 123.4
[M+HCOO]- 226.08333 154.4
[M+CH3COO]- 240.09898 180.8
[M+Na-2H]- 202.05980 139.7
[M]+ 181.08458 143.9
[M]- 181.08568 143.9
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.