CID 165881128

5-(azetidin-3-yloxy)-1,3-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC1=NN(C(=C1)OC2CNC2)C
InChI
InChI=1S/C8H13N3O/c1-6-3-8(11(2)10-6)12-7-4-9-5-7/h3,7,9H,4-5H2,1-2H3
InChIKey
HNXNIPOXYPIWHH-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yloxy)-1,3-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 133.8
[M+Na]+ 190.09509 141.1
[M-H]- 166.09859 135.3
[M+NH4]+ 185.13969 145.2
[M+K]+ 206.06903 141.9
[M+H-H2O]+ 150.10313 121.2
[M+HCOO]- 212.10407 152.4
[M+CH3COO]- 226.11972 179.9
[M+Na-2H]- 188.08054 137.5
[M]+ 167.10532 141.6
[M]- 167.10642 141.6
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.