CID 83815090

4-(azetidin-3-yl)-1-methyl-1h-pyrazole dihydrochloride

Structural Information

Molecular Formula
C7H11N3
SMILES
CN1C=C(C=N1)C2CNC2
InChI
InChI=1S/C7H11N3/c1-10-5-7(4-9-10)6-2-8-3-6/h4-6,8H,2-3H2,1H3
InChIKey
JFWIDEZDNAHVIL-UHFFFAOYSA-N
Compound name
4-(azetidin-3-yl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

137.09529 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 126.0
[M+Na]+ 160.08451 133.2
[M-H]- 136.08801 127.4
[M+NH4]+ 155.12911 138.5
[M+K]+ 176.05845 133.8
[M+H-H2O]+ 120.09255 113.5
[M+HCOO]- 182.09349 144.9
[M+CH3COO]- 196.10914 174.0
[M+Na-2H]- 158.06996 131.2
[M]+ 137.09474 131.8
[M]- 137.09584 131.8
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