CID 245057

2-methyl-4-phenylpyrrolidine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1CC(CN1)C2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-9-7-11(8-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKey
MCFFHJJRTWGOAS-UHFFFAOYSA-N
Compound name
2-methyl-4-phenylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

161.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 135.7
[M+Na]+ 184.10967 142.1
[M-H]- 160.11317 139.4
[M+NH4]+ 179.15427 156.2
[M+K]+ 200.08361 138.6
[M+H-H2O]+ 144.11771 129.0
[M+HCOO]- 206.11865 156.3
[M+CH3COO]- 220.13430 148.4
[M+Na-2H]- 182.09512 139.7
[M]+ 161.11990 130.7
[M]- 161.12100 130.7
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