CID 48720

3-(m-methoxyphenyl)-3-pentylazetidine

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCCC1(CNC1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C15H23NO/c1-3-4-5-9-15(11-16-12-15)13-7-6-8-14(10-13)17-2/h6-8,10,16H,3-5,9,11-12H2,1-2H3
InChIKey
FDRFARPHJQRSBB-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-3-pentylazetidine
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 161.1
[M-H]- 232.170684 159.5
[M+NH4]+ 251.211783 167.7
[M+K]+ 272.141118 160.4
[M+H-H2O]+ 216.175220 144.4
[M+HCOO]- 278.176161 174.6
[M+CH3COO]- 292.191811 193.3
[M+Na-2H]- 254.152626 160.7
[M]+ 233.17741142 164.7
[M]- 233.17850858 164.7
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.