CID 155943865

3-(1h-pyrazol-1-yl)azetidine-3-carboxylic acid dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 134.6
[M+Na]+ 190.05869 139.7
[M+NH4]+ 185.10329 138.1
[M+K]+ 206.03263 138.1
[M-H]- 166.06219 130.8
[M+Na-2H]- 188.04414 138.1
[M]+ 167.06892 132.8
[M]- 167.07002 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.