CID 28064547

1-(azetidin-3-yl)-1h-pyrazole

Structural Information

Molecular Formula
C6H9N3
SMILES
C1C(CN1)N2C=CC=N2
InChI
InChI=1S/C6H9N3/c1-2-8-9(3-1)6-4-7-5-6/h1-3,6-7H,4-5H2
InChIKey
BTVFEBGEHBKUDA-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

123.07965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 121.2
[M+Na]+ 146.06887 128.1
[M+NH4]+ 141.11347 125.3
[M+K]+ 162.04281 126.5
[M-H]- 122.07237 119.4
[M+Na-2H]- 144.05432 125.6
[M]+ 123.07910 120.2
[M]- 123.08020 120.2
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