CID 121552516

(1r,2r)-2-(1h-pyrazol-1-yl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1C[C@H]([C@@H]1C(=O)O)N2C=CC=N2
InChI
InChI=1S/C8H10N2O2/c11-8(12)6-2-3-7(6)10-5-1-4-9-10/h1,4-7H,2-3H2,(H,11,12)/t6-,7-/m1/s1
InChIKey
HESXDIAEXFAPFB-RNFRBKRXSA-N
Compound name
(1R,2R)-2-pyrazol-1-ylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 131.6
[M+Na]+ 189.06345 137.8
[M-H]- 165.06695 134.3
[M+NH4]+ 184.10805 143.8
[M+K]+ 205.03739 139.2
[M+H-H2O]+ 149.07149 119.6
[M+HCOO]- 211.07243 150.9
[M+CH3COO]- 225.08808 178.0
[M+Na-2H]- 187.04890 135.1
[M]+ 166.07368 138.6
[M]- 166.07478 138.6
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.