CID 22278632

2-(1-benzylpyrrolidin-2-yl)propan-2-ol

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(C)(C1CCCN1CC2=CC=CC=C2)O
InChI
InChI=1S/C14H21NO/c1-14(2,16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13,16H,6,9-11H2,1-2H3
InChIKey
FUNFYSOGTPDVRK-UHFFFAOYSA-N
Compound name
2-(1-benzylpyrrolidin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

219.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 153.0
[M+Na]+ 242.151528 158.4
[M-H]- 218.155034 156.4
[M+NH4]+ 237.196133 171.1
[M+K]+ 258.125468 155.1
[M+H-H2O]+ 202.159570 146.2
[M+HCOO]- 264.160511 171.1
[M+CH3COO]- 278.176161 186.2
[M+Na-2H]- 240.136976 156.1
[M]+ 219.16176142 150.0
[M]- 219.16285858 150.0
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