CID 3149269

4553-27-9

Structural Information

Molecular Formula
C14H23N3
SMILES
C1CN(CCN1CCCN)CC2=CC=CC=C2
InChI
InChI=1S/C14H23N3/c15-7-4-8-16-9-11-17(12-10-16)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,15H2
InChIKey
DQZBCJSBHYEUAY-UHFFFAOYSA-N
Compound name
3-(4-benzylpiperazin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

233.1892 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.196476 157.4
[M+Na]+ 256.178418 161.0
[M-H]- 232.181924 159.3
[M+NH4]+ 251.223023 171.5
[M+K]+ 272.152358 156.8
[M+H-H2O]+ 216.186460 147.8
[M+HCOO]- 278.187401 175.1
[M+CH3COO]- 292.203051 193.7
[M+Na-2H]- 254.163866 161.2
[M]+ 233.18865142 151.8
[M]- 233.18974858 151.8
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