CID 59485352

1-benzyl-3,3-dimethylpiperazine

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1(CN(CCN1)CC2=CC=CC=C2)C
InChI
InChI=1S/C13H20N2/c1-13(2)11-15(9-8-14-13)10-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3
InChIKey
PODCZDOPRYMUSK-UHFFFAOYSA-N
Compound name
1-benzyl-3,3-dimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

204.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 149.6
[M+Na]+ 227.15186 155.1
[M-H]- 203.15536 151.3
[M+NH4]+ 222.19646 166.9
[M+K]+ 243.12580 151.1
[M+H-H2O]+ 187.15990 141.4
[M+HCOO]- 249.16084 165.9
[M+CH3COO]- 263.17649 160.2
[M+Na-2H]- 225.13731 155.0
[M]+ 204.16209 143.8
[M]- 204.16319 143.8
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