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]+ 296.200876 172.8
[M+Na]+ 318.182818 178.5
[M-H]- 294.186324 179.4
[M+NH4]+ 313.227423 189.5
[M+K]+ 334.156758 172.7
[M+H-H2O]+ 278.190860 164.0
[M+HCOO]- 340.191801 192.0
[M+CH3COO]- 354.207451 183.2
[M+Na-2H]- 316.168266 174.4
[M]+ 295.19305142 170.4
[M]- 295.19414858 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.