CID 62353987

3-benzyl-2,2-dimethylpyrrolidine

Structural Information

Molecular Formula
C13H19N
SMILES
CC1(C(CCN1)CC2=CC=CC=C2)C
InChI
InChI=1S/C13H19N/c1-13(2)12(8-9-14-13)10-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChIKey
LRHNJHMOSGWPDW-UHFFFAOYSA-N
Compound name
3-benzyl-2,2-dimethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.5
[M+Na]+ 212.140968 151.0
[M-H]- 188.144474 148.2
[M+NH4]+ 207.185573 165.9
[M+K]+ 228.114908 147.1
[M+H-H2O]+ 172.149010 137.9
[M+HCOO]- 234.149951 164.4
[M+CH3COO]- 248.165601 180.3
[M+Na-2H]- 210.126416 148.4
[M]+ 189.15120142 140.4
[M]- 189.15229858 140.4
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.