CID 339556

2-benzylpyrrolidine

Structural Information

Molecular Formula
C11H15N
SMILES
C1CC(NC1)CC2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6,11-12H,4,7-9H2
InChIKey
NKHMSOXIXROFRU-UHFFFAOYSA-N
Compound name
2-benzylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

366
Patents

161.12045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 137.4
[M+Na]+ 184.10967 149.4
[M+NH4]+ 179.15427 147.0
[M+K]+ 200.08361 143.5
[M-H]- 160.11317 140.9
[M+Na-2H]- 182.09512 145.1
[M]+ 161.11990 140.0
[M]- 161.12100 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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