CID 32015

23584-18-1

Structural Information

Molecular Formula
C14H21NO
SMILES
CCCC1(CN(C1)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C14H21NO/c1-4-8-14(10-15(2)11-14)12-6-5-7-13(9-12)16-3/h5-7,9H,4,8,10-11H2,1-3H3
InChIKey
SXZGGSCISJPTIK-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-methyl-3-propylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 149.5
[M+Na]+ 242.15153 158.3
[M+NH4]+ 237.19613 155.6
[M+K]+ 258.12547 151.1
[M-H]- 218.15503 150.3
[M+Na-2H]- 240.13698 155.8
[M]+ 219.16176 150.1
[M]- 219.16286 150.1
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.