CID 63123006

1-methyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine

Structural Information

Molecular Formula
C12H25N3
SMILES
CC1(CCNCC1)CN2CCN(CC2)C
InChI
InChI=1S/C12H25N3/c1-12(3-5-13-6-4-12)11-15-9-7-14(2)8-10-15/h13H,3-11H2,1-2H3
InChIKey
KDXHYRMKXQQFNG-UHFFFAOYSA-N
Compound name
1-methyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.20485 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.212126 155.9
[M+Na]+ 234.194068 158.6
[M-H]- 210.197574 155.1
[M+NH4]+ 229.238673 171.2
[M+K]+ 250.168008 155.6
[M+H-H2O]+ 194.202110 146.7
[M+HCOO]- 256.203051 166.7
[M+CH3COO]- 270.218701 184.5
[M+Na-2H]- 232.179516 158.4
[M]+ 211.20430142 145.9
[M]- 211.20539858 145.9
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.