CID 66466463

2-benzyl-2-ethylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C13H19N
SMILES
CCC1(CCCN1)CC2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-2-13(9-6-10-14-13)11-12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3
InChIKey
DDZOXKHVZSVUPH-UHFFFAOYSA-N
Compound name
2-benzyl-2-ethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.1
[M+Na]+ 212.140968 150.6
[M-H]- 188.144474 148.4
[M+NH4]+ 207.185573 166.1
[M+K]+ 228.114908 146.8
[M+H-H2O]+ 172.149010 138.2
[M+HCOO]- 234.149951 165.0
[M+CH3COO]- 248.165601 179.3
[M+Na-2H]- 210.126416 149.6
[M]+ 189.15120142 140.6
[M]- 189.15229858 140.6
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