CID 63961604

4-[(1-methyl-1h-pyrazol-5-yl)methyl]piperidine

Structural Information

Molecular Formula
C10H17N3
SMILES
CN1C(=CC=N1)CC2CCNCC2
InChI
InChI=1S/C10H17N3/c1-13-10(4-7-12-13)8-9-2-5-11-6-3-9/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKey
HPOODBWTDRQKOO-UHFFFAOYSA-N
Compound name
4-[(2-methylpyrazol-3-yl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

179.14224 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.149516 142.4
[M+Na]+ 202.131458 148.1
[M-H]- 178.134964 142.8
[M+NH4]+ 197.176063 159.2
[M+K]+ 218.105398 144.9
[M+H-H2O]+ 162.139500 133.5
[M+HCOO]- 224.140441 159.1
[M+CH3COO]- 238.156091 153.3
[M+Na-2H]- 200.116906 145.5
[M]+ 179.14169142 136.6
[M]- 179.14278858 136.6
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

patents stripe