CID 10241608

2,2,5-trimethyl-3-phenylpyrrolidine

Structural Information

Molecular Formula
C13H19N
SMILES
CC1CC(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
InChIKey
FVDMLCGIOKMSRT-UHFFFAOYSA-N
Compound name
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]+ 190.15903 143.7
[M+Na]+ 212.14097 151.2
[M-H]- 188.14447 147.9
[M+NH4]+ 207.18557 165.5
[M+K]+ 228.11491 147.3
[M+H-H2O]+ 172.14901 137.5
[M+HCOO]- 234.14995 163.7
[M+CH3COO]- 248.16560 181.4
[M+Na-2H]- 210.12642 147.0
[M]+ 189.15120 140.1
[M]- 189.15230 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.