CID 29822

3-(m-methoxyphenyl)-1-propionyl-3-propylazetidine

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCC1(CN(C1)C(=O)CC)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H23NO2/c1-4-9-16(11-17(12-16)15(18)5-2)13-7-6-8-14(10-13)19-3/h6-8,10H,4-5,9,11-12H2,1-3H3
InChIKey
ZDVKSHKJWZEZDJ-UHFFFAOYSA-N
Compound name
1-[3-(3-methoxyphenyl)-3-propylazetidin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 162.7
[M+Na]+ 284.162098 168.3
[M-H]- 260.165604 167.7
[M+NH4]+ 279.206703 173.9
[M+K]+ 300.136038 168.8
[M+H-H2O]+ 244.170140 150.8
[M+HCOO]- 306.171081 181.5
[M+CH3COO]- 320.186731 201.1
[M+Na-2H]- 282.147546 165.2
[M]+ 261.17233142 173.8
[M]- 261.17342858 173.8
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.