CID 11137917

484001-87-8

Structural Information

Molecular Formula
C13H19N
SMILES
C[C@@H]1C[C@@H](C(N1)(C)C)C2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-10-9-12(13(2,3)14-10)11-7-5-4-6-8-11/h4-8,10,12,14H,9H2,1-3H3/t10-,12-/m1/s1
InChIKey
FVDMLCGIOKMSRT-ZYHUDNBSSA-N
Compound name
(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 143.7
[M+Na]+ 212.140968 151.2
[M-H]- 188.144474 147.9
[M+NH4]+ 207.185573 165.5
[M+K]+ 228.114908 147.3
[M+H-H2O]+ 172.149010 137.5
[M+HCOO]- 234.149951 163.7
[M+CH3COO]- 248.165601 181.4
[M+Na-2H]- 210.126416 147.0
[M]+ 189.15120142 140.1
[M]- 189.15229858 140.1
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

No patent data available for this compound.