CID 119031225

Rac-methyl({[(2r,3s)-1-methyl-2-(1-methyl-1h-pyrazol-5-yl)piperidin-3-yl]methyl})amine

Structural Information

Molecular Formula
C12H22N4
SMILES
CNC[C@@H]1CCCN([C@H]1C2=CC=NN2C)C
InChI
InChI=1S/C12H22N4/c1-13-9-10-5-4-8-15(2)12(10)11-6-7-14-16(11)3/h6-7,10,12-13H,4-5,8-9H2,1-3H3/t10-,12+/m0/s1
InChIKey
YOCQJDXLPANCBZ-CMPLNLGQSA-N
Compound name
N-methyl-1-[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.18445 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.19173 154.7
[M+Na]+ 245.17367 161.1
[M-H]- 221.17717 157.0
[M+NH4]+ 240.21827 170.8
[M+K]+ 261.14761 157.9
[M+H-H2O]+ 205.18171 145.5
[M+HCOO]- 267.18265 173.3
[M+CH3COO]- 281.19830 193.4
[M+Na-2H]- 243.15912 156.3
[M]+ 222.18390 151.6
[M]- 222.18500 151.6
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

No patent data available for this compound.