CID 68379831

1-(oxetan-3-yl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1C(CO1)N2C=C(C=N2)C(=O)O
InChI
InChI=1S/C7H8N2O3/c10-7(11)5-1-8-9(2-5)6-3-12-4-6/h1-2,6H,3-4H2,(H,10,11)
InChIKey
HBZDAQAXRCGWBI-UHFFFAOYSA-N
Compound name
1-(oxetan-3-yl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

168.0535 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 127.7
[M+Na]+ 191.04272 134.1
[M-H]- 167.04622 131.2
[M+NH4]+ 186.08732 138.6
[M+K]+ 207.01666 137.3
[M+H-H2O]+ 151.05076 115.9
[M+HCOO]- 213.05170 146.7
[M+CH3COO]- 227.06735 177.1
[M+Na-2H]- 189.02817 132.6
[M]+ 168.05295 136.4
[M]- 168.05405 136.4
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