CID 57855285

1-benzyl-4,4-dimethylpyrrolidin-3-ol

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1(CN(CC1O)CC2=CC=CC=C2)C
InChI
InChI=1S/C13H19NO/c1-13(2)10-14(9-12(13)15)8-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3
InChIKey
CLPRUSDTBLKDJO-UHFFFAOYSA-N
Compound name
1-benzyl-4,4-dimethylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

205.14667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.1
[M+Na]+ 228.13589 160.1
[M+NH4]+ 223.18049 158.3
[M+K]+ 244.10983 153.1
[M-H]- 204.13939 151.2
[M+Na-2H]- 226.12134 156.0
[M]+ 205.14612 150.8
[M]- 205.14722 150.8
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