CID 122501

1-benzylpyrrolidine

Structural Information

Molecular Formula
C11H15N
SMILES
C1CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7H,4-5,8-10H2
InChIKey
CWEGCQIIDCZZED-UHFFFAOYSA-N
Compound name
1-benzylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

4968
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 135.5
[M+Na]+ 184.10967 141.3
[M-H]- 160.11317 140.0
[M+NH4]+ 179.15427 156.2
[M+K]+ 200.08361 138.7
[M+H-H2O]+ 144.11771 128.1
[M+HCOO]- 206.11865 157.5
[M+CH3COO]- 220.13430 148.4
[M+Na-2H]- 182.09512 140.5
[M]+ 161.11990 131.9
[M]- 161.12100 131.9
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

patents stripe