CID 84731667

1-(azetidin-3-yl)-1h-pyrazole-5-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1C(CN1)N2C(=CC=N2)C(=O)O
InChI
InChI=1S/C7H9N3O2/c11-7(12)6-1-2-9-10(6)5-3-8-4-5/h1-2,5,8H,3-4H2,(H,11,12)
InChIKey
URKYGDOHVGERAM-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 133.6
[M+Na]+ 190.05869 139.7
[M-H]- 166.06219 133.7
[M+NH4]+ 185.10329 143.7
[M+K]+ 206.03263 140.4
[M+H-H2O]+ 150.06673 120.9
[M+HCOO]- 212.06767 150.4
[M+CH3COO]- 226.08332 175.5
[M+Na-2H]- 188.04414 136.8
[M]+ 167.06892 138.9
[M]- 167.07002 138.9
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.