CID 44558598

1-(1-benzylpyrrolidin-3-yl)piperazine

Structural Information

Molecular Formula
C15H23N3
SMILES
C1CN(CC1N2CCNCC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H23N3/c1-2-4-14(5-3-1)12-17-9-6-15(13-17)18-10-7-16-8-11-18/h1-5,15-16H,6-13H2
InChIKey
QRCCCCZXXGZOGG-UHFFFAOYSA-N
Compound name
1-(1-benzylpyrrolidin-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

245.1892 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.19648 160.5
[M+Na]+ 268.17842 163.2
[M-H]- 244.18192 162.9
[M+NH4]+ 263.22302 173.7
[M+K]+ 284.15236 158.2
[M+H-H2O]+ 228.18646 149.7
[M+HCOO]- 290.18740 173.9
[M+CH3COO]- 304.20305 169.0
[M+Na-2H]- 266.16387 161.0
[M]+ 245.18865 150.9
[M]- 245.18975 150.9
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

patents stripe