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]+ 234.18524 156.2
[M+Na]+ 256.16718 161.1
[M-H]- 232.17068 159.5
[M+NH4]+ 251.21178 167.7
[M+K]+ 272.14112 160.4
[M+H-H2O]+ 216.17522 144.4
[M+HCOO]- 278.17616 174.6
[M+CH3COO]- 292.19181 193.3
[M+Na-2H]- 254.15263 160.7
[M]+ 233.17741 164.7
[M]- 233.17851 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.