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]+ 190.15903 144.5
[M+Na]+ 212.14097 151.0
[M-H]- 188.14447 148.2
[M+NH4]+ 207.18557 165.9
[M+K]+ 228.11491 147.1
[M+H-H2O]+ 172.14901 137.9
[M+HCOO]- 234.14995 164.4
[M+CH3COO]- 248.16560 180.3
[M+Na-2H]- 210.12642 148.4
[M]+ 189.15120 140.4
[M]- 189.15230 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.