CID 16642717

2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C14H22N2
SMILES
CCC1=CC=C(C=C1)C(CN)N2CCCC2
InChI
InChI=1S/C14H22N2/c1-2-12-5-7-13(8-6-12)14(11-15)16-9-3-4-10-16/h5-8,14H,2-4,9-11,15H2,1H3
InChIKey
QCGLRNJIKPUVEA-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.1783 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 153.5
[M+Na]+ 241.16752 157.8
[M-H]- 217.17102 157.5
[M+NH4]+ 236.21212 171.6
[M+K]+ 257.14146 154.4
[M+H-H2O]+ 201.17556 145.5
[M+HCOO]- 263.17650 173.9
[M+CH3COO]- 277.19215 191.4
[M+Na-2H]- 239.15297 154.5
[M]+ 218.17775 149.1
[M]- 218.17885 149.1
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

patents stripe