CID 171824

67231-92-9

Structural Information

Molecular Formula
C14H22N2O
SMILES
CC(CC1=CC=CC=C1)N2CCOCCCN2
InChI
InChI=1S/C14H22N2O/c1-13(12-14-6-3-2-4-7-14)16-9-11-17-10-5-8-15-16/h2-4,6-7,13,15H,5,8-12H2,1H3
InChIKey
CYYQFEWHDSKIMF-UHFFFAOYSA-N
Compound name
4-(1-phenylpropan-2-yl)-1,4,5-oxadiazocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 149.6
[M+Na]+ 257.16244 153.3
[M+NH4]+ 252.20704 152.2
[M+K]+ 273.13638 152.6
[M-H]- 233.16594 150.9
[M+Na-2H]- 255.14789 152.9
[M]+ 234.17267 150.4
[M]- 234.17377 150.4
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.