CID 3071182

87505-31-5

Structural Information

Molecular Formula
C14H22N2O
SMILES
C1CN(CCCOC1)NCCC2=CC=CC=C2
InChI
InChI=1S/C14H22N2O/c1-2-6-14(7-3-1)8-9-15-16-10-4-12-17-13-5-11-16/h1-3,6-7,15H,4-5,8-13H2
InChIKey
KZDGERVBEDBZPW-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-1,5-oxazocan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 147.5
[M+Na]+ 257.16244 151.2
[M+NH4]+ 252.20704 150.4
[M+K]+ 273.13638 150.3
[M-H]- 233.16594 149.4
[M+Na-2H]- 255.14789 151.3
[M]+ 234.17267 148.5
[M]- 234.17377 148.5
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.