CID 102632

3-(3-butyl-1-methylpyrrolidin-3-yl)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]+ 234.185236 156.2
[M+Na]+ 256.167178 162.7
[M-H]- 232.170684 159.9
[M+NH4]+ 251.211783 176.0
[M+K]+ 272.141118 158.8
[M+H-H2O]+ 216.175220 149.4
[M+HCOO]- 278.176161 175.6
[M+CH3COO]- 292.191811 189.5
[M+Na-2H]- 254.152626 158.4
[M]+ 233.17741142 154.7
[M]- 233.17850858 154.7
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.