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]+ 168.113146 133.8
[M+Na]+ 190.095088 141.1
[M-H]- 166.098594 135.3
[M+NH4]+ 185.139693 145.2
[M+K]+ 206.069028 141.9
[M+H-H2O]+ 150.103130 121.2
[M+HCOO]- 212.104071 152.4
[M+CH3COO]- 226.119721 179.9
[M+Na-2H]- 188.080536 137.5
[M]+ 167.10532142 141.6
[M]- 167.10641858 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.