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

10
Patents

218.1783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.185576 152.8
[M+Na]+ 241.167518 157.5
[M-H]- 217.171024 158.7
[M+NH4]+ 236.212123 171.9
[M+K]+ 257.141458 155.4
[M+H-H2O]+ 201.175560 144.5
[M+HCOO]- 263.176501 175.3
[M+CH3COO]- 277.192151 194.7
[M+Na-2H]- 239.152966 155.2
[M]+ 218.17775142 151.2
[M]- 218.17884858 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.