CID 3046568

62396-49-0

Structural Information

Molecular Formula
C14H22N2
SMILES
CCN(C)[C@@H]1CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C14H22N2/c1-3-15(2)14-9-10-16(12-14)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1
InChIKey
YFJFURKFAKMJMP-CQSZACIVSA-N
Compound name
(3R)-1-benzyl-N-ethyl-N-methylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

218.1783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 152.8
[M+Na]+ 241.16752 157.5
[M-H]- 217.17102 158.7
[M+NH4]+ 236.21212 171.9
[M+K]+ 257.14146 155.4
[M+H-H2O]+ 201.17556 144.5
[M+HCOO]- 263.17650 175.3
[M+CH3COO]- 277.19215 194.7
[M+Na-2H]- 239.15297 155.2
[M]+ 218.17775 151.2
[M]- 218.17885 151.2
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.