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]+ 248.200896 159.2
[M+Na]+ 270.182838 164.9
[M-H]- 246.186344 164.0
[M+NH4]+ 265.227443 171.2
[M+K]+ 286.156778 164.9
[M+H-H2O]+ 230.190880 147.3
[M+HCOO]- 292.191821 178.7
[M+CH3COO]- 306.207471 199.8
[M+Na-2H]- 268.168286 163.0
[M]+ 247.19307142 170.3
[M]- 247.19416858 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.