CID 54592628

2-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]piperidine

Structural Information

Molecular Formula
C11H19N3
SMILES
CC1=CC(=NN1CC2CCCCN2)C
InChI
InChI=1S/C11H19N3/c1-9-7-10(2)14(13-9)8-11-5-3-4-6-12-11/h7,11-12H,3-6,8H2,1-2H3
InChIKey
MKEUMBYEBAKUBA-UHFFFAOYSA-N
Compound name
2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.1579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.16518 147.1
[M+Na]+ 216.14712 153.4
[M-H]- 192.15062 147.8
[M+NH4]+ 211.19172 163.6
[M+K]+ 232.12106 149.8
[M+H-H2O]+ 176.15516 138.4
[M+HCOO]- 238.15610 163.4
[M+CH3COO]- 252.17175 181.8
[M+Na-2H]- 214.13257 148.9
[M]+ 193.15735 142.0
[M]- 193.15845 142.0
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

No patent data available for this compound.