CID 29926

Brn 1533351

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCC1(CN(C1)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C15H23NO/c1-4-5-9-15(11-16(2)12-15)13-7-6-8-14(10-13)17-3/h6-8,10H,4-5,9,11-12H2,1-3H3
InChIKey
CPEOTVWFSNUGSR-UHFFFAOYSA-N
Compound name
3-butyl-3-(3-methoxyphenyl)-1-methylazetidine
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 154.0
[M+Na]+ 256.16718 162.6
[M+NH4]+ 251.21178 159.9
[M+K]+ 272.14112 155.1
[M-H]- 232.17068 154.7
[M+Na-2H]- 254.15263 160.1
[M]+ 233.17741 154.5
[M]- 233.17851 154.5
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.