CID 83848241

1-benzyl-2,2-dimethylpyrrolidin-3-ol

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1(C(CCN1CC2=CC=CC=C2)O)C
InChI
InChI=1S/C13H19NO/c1-13(2)12(15)8-9-14(13)10-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3
InChIKey
RTPQOQBCLWOZLU-UHFFFAOYSA-N
Compound name
1-benzyl-2,2-dimethylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 147.1
[M+Na]+ 228.135888 154.5
[M-H]- 204.139394 151.3
[M+NH4]+ 223.180493 168.1
[M+K]+ 244.109828 151.2
[M+H-H2O]+ 188.143930 140.8
[M+HCOO]- 250.144871 167.3
[M+CH3COO]- 264.160521 183.4
[M+Na-2H]- 226.121336 150.5
[M]+ 205.14612142 145.0
[M]- 205.14721858 145.0
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