CID 28704460

Benzyl(methyl)[2-(piperazin-1-yl)ethyl]amine

Structural Information

Molecular Formula
C14H23N3
SMILES
CN(CCN1CCNCC1)CC2=CC=CC=C2
InChI
InChI=1S/C14H23N3/c1-16(13-14-5-3-2-4-6-14)11-12-17-9-7-15-8-10-17/h2-6,15H,7-13H2,1H3
InChIKey
AQKKSXVAGSAHBT-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-2-piperazin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1892 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.196476 156.9
[M+Na]+ 256.178418 159.2
[M-H]- 232.181924 159.0
[M+NH4]+ 251.223023 170.9
[M+K]+ 272.152358 156.0
[M+H-H2O]+ 216.186460 147.2
[M+HCOO]- 278.187401 174.3
[M+CH3COO]- 292.203051 194.1
[M+Na-2H]- 254.163866 161.3
[M]+ 233.18865142 151.3
[M]- 233.18974858 151.3
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.