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
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References

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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 145.6
[M+Na]+ 212.14097 157.7
[M+NH4]+ 207.18557 156.3
[M+K]+ 228.11491 149.9
[M-H]- 188.14447 149.1
[M+Na-2H]- 210.12642 154.1
[M]+ 189.15120 148.4
[M]- 189.15230 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.