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 151.4
[M+Na]+ 257.16244 154.5
[M-H]- 233.16594 152.5
[M+NH4]+ 252.20704 157.2
[M+K]+ 273.13638 154.5
[M+H-H2O]+ 217.17048 146.5
[M+HCOO]- 279.17142 157.8
[M+CH3COO]- 293.18707 155.3
[M+Na-2H]- 255.14789 151.8
[M]+ 234.17267 148.9
[M]- 234.17377 148.9
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.