CID 83815089

2413874-80-1

Structural Information

Molecular Formula
C7H11N3
SMILES
CN1C=CC(=N1)C2CNC2
InChI
InChI=1S/C7H11N3/c1-10-3-2-7(9-10)6-4-8-5-6/h2-3,6,8H,4-5H2,1H3
InChIKey
HODGRELOINJOML-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

137.09529 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.102566 126.0
[M+Na]+ 160.084508 133.2
[M-H]- 136.088014 127.4
[M+NH4]+ 155.129113 138.5
[M+K]+ 176.058448 133.8
[M+H-H2O]+ 120.092550 113.5
[M+HCOO]- 182.093491 144.9
[M+CH3COO]- 196.109141 174.0
[M+Na-2H]- 158.069956 131.2
[M]+ 137.09474142 131.8
[M]- 137.09583858 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