CID 217411

Brn 1462880

Structural Information

Molecular Formula
C15H23NO
SMILES
CCC(C)C1(CCN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H23NO/c1-4-12(2)15(8-9-16(3)11-15)13-6-5-7-14(17)10-13/h5-7,10,12,17H,4,8-9,11H2,1-3H3
InChIKey
PYNQCOZDOAONJX-UHFFFAOYSA-N
Compound name
3-(3-butan-2-yl-1-methylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 157.0
[M+Na]+ 256.16718 168.2
[M+NH4]+ 251.21178 166.7
[M+K]+ 272.14112 161.5
[M-H]- 232.17068 159.8
[M+Na-2H]- 254.15263 164.0
[M]+ 233.17741 159.5
[M]- 233.17851 159.5
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.