CID 165983394

Sodium 1-[(3-methyloxetan-3-yl)methyl]-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC1(COC1)CN2C=CC(=N2)C(=O)O
InChI
InChI=1S/C9H12N2O3/c1-9(5-14-6-9)4-11-3-2-7(10-11)8(12)13/h2-3H,4-6H2,1H3,(H,12,13)
InChIKey
FNNZLZRQBCXZJZ-UHFFFAOYSA-N
Compound name
1-[(3-methyloxetan-3-yl)methyl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.8
[M+Na]+ 219.07402 146.5
[M+NH4]+ 214.11862 144.5
[M+K]+ 235.04796 145.0
[M-H]- 195.07752 139.2
[M+Na-2H]- 217.05947 143.8
[M]+ 196.08425 139.8
[M]- 196.08535 139.8
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.