CID 54592912

3-(3,5-dimethyl-1h-pyrazol-1-yl)piperidine

Structural Information

Molecular Formula
C10H17N3
SMILES
CC1=CC(=NN1C2CCCNC2)C
InChI
InChI=1S/C10H17N3/c1-8-6-9(2)13(12-8)10-4-3-5-11-7-10/h6,10-11H,3-5,7H2,1-2H3
InChIKey
ASEORIJNAXUCCB-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylpyrazol-1-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.14224 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.149516 142.7
[M+Na]+ 202.131458 149.4
[M-H]- 178.134964 143.5
[M+NH4]+ 197.176063 159.8
[M+K]+ 218.105398 146.0
[M+H-H2O]+ 162.139500 134.2
[M+HCOO]- 224.140441 159.3
[M+CH3COO]- 238.156091 153.9
[M+Na-2H]- 200.116906 145.0
[M]+ 179.14169142 137.3
[M]- 179.14278858 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe