CID 63193480

3-phenyl-3-(propan-2-yl)pyrrolidine

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)C1(CCNC1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-11(2)13(8-9-14-10-13)12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3
InChIKey
AXUODLXBKKVHTA-UHFFFAOYSA-N
Compound name
3-phenyl-3-propan-2-ylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.6
[M+Na]+ 212.140968 150.9
[M-H]- 188.144474 149.0
[M+NH4]+ 207.185573 166.6
[M+K]+ 228.114908 147.5
[M+H-H2O]+ 172.149010 138.9
[M+HCOO]- 234.149951 164.5
[M+CH3COO]- 248.165601 180.1
[M+Na-2H]- 210.126416 148.9
[M]+ 189.15120142 140.5
[M]- 189.15229858 140.5
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

No patent data available for this compound.