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]+ 262.18016 162.7
[M+Na]+ 284.16210 168.3
[M-H]- 260.16560 167.7
[M+NH4]+ 279.20670 173.9
[M+K]+ 300.13604 168.8
[M+H-H2O]+ 244.17014 150.8
[M+HCOO]- 306.17108 181.5
[M+CH3COO]- 320.18673 201.1
[M+Na-2H]- 282.14755 165.2
[M]+ 261.17233 173.8
[M]- 261.17343 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.