CID 217158

3-(1-pentyl-3-propylpyrrolidin-3-yl)phenol

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCCCN1CCC(C1)(CCC)C2=CC(=CC=C2)O
InChI
InChI=1S/C18H29NO/c1-3-5-6-12-19-13-11-18(15-19,10-4-2)16-8-7-9-17(20)14-16/h7-9,14,20H,3-6,10-13,15H2,1-2H3
InChIKey
OLBVZLXQANREEQ-UHFFFAOYSA-N
Compound name
3-(1-pentyl-3-propylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 169.6
[M+Na]+ 298.214118 174.7
[M-H]- 274.217624 172.7
[M+NH4]+ 293.258723 187.7
[M+K]+ 314.188058 170.2
[M+H-H2O]+ 258.222160 162.2
[M+HCOO]- 320.223101 188.0
[M+CH3COO]- 334.238751 198.4
[M+Na-2H]- 296.199566 170.2
[M]+ 275.22435142 169.1
[M]- 275.22544858 169.1
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

patents stripe