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

0
Patents

205.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.1
[M+Na]+ 228.13589 154.5
[M-H]- 204.13939 151.3
[M+NH4]+ 223.18049 168.1
[M+K]+ 244.10983 151.2
[M+H-H2O]+ 188.14393 140.8
[M+HCOO]- 250.14487 167.3
[M+CH3COO]- 264.16052 183.4
[M+Na-2H]- 226.12134 150.5
[M]+ 205.14612 145.0
[M]- 205.14722 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