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]+ 276.23218 169.6
[M+Na]+ 298.21412 174.7
[M-H]- 274.21762 172.7
[M+NH4]+ 293.25872 187.7
[M+K]+ 314.18806 170.2
[M+H-H2O]+ 258.22216 162.2
[M+HCOO]- 320.22310 188.0
[M+CH3COO]- 334.23875 198.4
[M+Na-2H]- 296.19957 170.2
[M]+ 275.22435 169.1
[M]- 275.22545 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