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]+ 167.08151 133.0
[M+Na]+ 189.06345 139.2
[M-H]- 165.06695 135.8
[M+NH4]+ 184.10805 146.9
[M+K]+ 205.03739 140.7
[M+H-H2O]+ 149.07149 121.8
[M+HCOO]- 211.07243 152.4
[M+CH3COO]- 225.08808 176.5
[M+Na-2H]- 187.04890 138.1
[M]+ 166.07368 140.0
[M]- 166.07478 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