CID 50987578

1-benzyl-2,2-dimethylpiperazine

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1(CNCCN1CC2=CC=CC=C2)C
InChI
InChI=1S/C13H20N2/c1-13(2)11-14-8-9-15(13)10-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3
InChIKey
ZDYGXJLQTUNTKJ-UHFFFAOYSA-N
Compound name
1-benzyl-2,2-dimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

204.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 149.6
[M+Na]+ 227.151858 155.1
[M-H]- 203.155364 151.3
[M+NH4]+ 222.196463 166.9
[M+K]+ 243.125798 151.1
[M+H-H2O]+ 187.159900 141.4
[M+HCOO]- 249.160841 165.9
[M+CH3COO]- 263.176491 160.2
[M+Na-2H]- 225.137306 155.0
[M]+ 204.16209142 143.8
[M]- 204.16318858 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