CID 66466509

2-benzyl-2-(propan-2-yl)pyrrolidine

Structural Information

Molecular Formula
C14H21N
SMILES
CC(C)C1(CCCN1)CC2=CC=CC=C2
InChI
InChI=1S/C14H21N/c1-12(2)14(9-6-10-15-14)11-13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11H2,1-2H3
InChIKey
ZLAYJTUYJQNGBZ-UHFFFAOYSA-N
Compound name
2-benzyl-2-propan-2-ylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 150.1
[M+Na]+ 226.156618 154.9
[M-H]- 202.160124 153.4
[M+NH4]+ 221.201223 170.5
[M+K]+ 242.130558 151.3
[M+H-H2O]+ 186.164660 143.2
[M+HCOO]- 248.165601 168.7
[M+CH3COO]- 262.181251 183.1
[M+Na-2H]- 224.142066 152.9
[M]+ 203.16685142 145.4
[M]- 203.16794858 145.4
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