CID 214323

28066-75-3

Structural Information

Molecular Formula
C20H25NO
SMILES
CCCC1(CCN(C1)CC2=CC=CC=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C20H25NO/c1-2-11-20(18-9-6-10-19(22)14-18)12-13-21(16-20)15-17-7-4-3-5-8-17/h3-10,14,22H,2,11-13,15-16H2,1H3
InChIKey
SIGDLNVGYSIDCK-UHFFFAOYSA-N
Compound name
3-(1-benzyl-3-propylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 172.8
[M+Na]+ 318.18282 178.5
[M-H]- 294.18632 179.4
[M+NH4]+ 313.22742 189.5
[M+K]+ 334.15676 172.7
[M+H-H2O]+ 278.19086 164.0
[M+HCOO]- 340.19180 192.0
[M+CH3COO]- 354.20745 183.2
[M+Na-2H]- 316.16827 174.4
[M]+ 295.19305 170.4
[M]- 295.19415 170.4
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

No patent data available for this compound.