CID 102632

M-(3-butyl-1-methyl-3-pyrrolidinyl)phenol

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCC1(CCN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H23NO/c1-3-4-8-15(9-10-16(2)12-15)13-6-5-7-14(17)11-13/h5-7,11,17H,3-4,8-10,12H2,1-2H3
InChIKey
FYZBHPKQZFGKAR-UHFFFAOYSA-N
Compound name
3-(3-butyl-1-methylpyrrolidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 157.1
[M+Na]+ 256.16718 168.7
[M+NH4]+ 251.21178 166.9
[M+K]+ 272.14112 161.1
[M-H]- 232.17068 160.1
[M+Na-2H]- 254.15263 164.4
[M]+ 233.17741 159.7
[M]- 233.17851 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.