CID 209423

3-(1-methyl-3-pentylazetidin-3-yl)phenol

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCCC1(CN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H23NO/c1-3-4-5-9-15(11-16(2)12-15)13-7-6-8-14(17)10-13/h6-8,10,17H,3-5,9,11-12H2,1-2H3
InChIKey
BVHFQVFALHWYPP-UHFFFAOYSA-N
Compound name
3-(1-methyl-3-pentylazetidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 155.0
[M+Na]+ 256.16718 163.0
[M+NH4]+ 251.21178 160.6
[M+K]+ 272.14112 155.8
[M-H]- 232.17068 155.2
[M+Na-2H]- 254.15263 160.4
[M]+ 233.17741 155.2
[M]- 233.17851 155.2
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.