CID 203381

Brn 1544120

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCC1(CCN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C21H27NO/c1-2-12-21(19-9-6-10-20(23)16-19)13-15-22(17-21)14-11-18-7-4-3-5-8-18/h3-10,16,23H,2,11-15,17H2,1H3
InChIKey
IAUGXDGCSZMJIE-UHFFFAOYSA-N
Compound name
3-[1-(2-phenylethyl)-3-propylpyrrolidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.3
[M+Na]+ 332.19848 182.4
[M-H]- 308.20198 183.6
[M+NH4]+ 327.24308 193.4
[M+K]+ 348.17242 176.5
[M+H-H2O]+ 292.20652 168.3
[M+HCOO]- 354.20746 196.0
[M+CH3COO]- 368.22311 187.2
[M+Na-2H]- 330.18393 178.3
[M]+ 309.20871 175.1
[M]- 309.20981 175.1
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.