CID 29824

19832-52-1

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCCCC1(CN(C1)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H25NO/c1-4-5-6-10-16(12-17(2)13-16)14-8-7-9-15(11-14)18-3/h7-9,11H,4-6,10,12-13H2,1-3H3
InChIKey
QJFLONLIVRRVHF-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-methyl-3-pentylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 159.2
[M+Na]+ 270.18284 164.9
[M-H]- 246.18634 164.0
[M+NH4]+ 265.22744 171.2
[M+K]+ 286.15678 164.9
[M+H-H2O]+ 230.19088 147.3
[M+HCOO]- 292.19182 178.7
[M+CH3COO]- 306.20747 199.8
[M+Na-2H]- 268.16829 163.0
[M]+ 247.19307 170.3
[M]- 247.19417 170.3
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.