CID 89854299

1469286-32-5

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1CC(C1)(C(=O)O)N2C=CC=N2
InChI
InChI=1S/C8H10N2O2/c11-7(12)8(3-1-4-8)10-6-2-5-9-10/h2,5-6H,1,3-4H2,(H,11,12)
InChIKey
ZYVKQFYWVKXQGD-UHFFFAOYSA-N
Compound name
1-pyrazol-1-ylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

166.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.0
[M+Na]+ 189.063448 139.2
[M-H]- 165.066954 135.8
[M+NH4]+ 184.108053 146.9
[M+K]+ 205.037388 140.7
[M+H-H2O]+ 149.071490 121.8
[M+HCOO]- 211.072431 152.4
[M+CH3COO]- 225.088081 176.5
[M+Na-2H]- 187.048896 138.1
[M]+ 166.07368142 140.0
[M]- 166.07477858 140.0
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

patents stripe