CID 3071181

87505-29-1

Structural Information

Molecular Formula
C14H22N2O
SMILES
CC(C1=CC=CC=C1)NN2CCCOCCC2
InChI
InChI=1S/C14H22N2O/c1-13(14-7-3-2-4-8-14)15-16-9-5-11-17-12-6-10-16/h2-4,7-8,13,15H,5-6,9-12H2,1H3
InChIKey
OYLUZRMANCEOHW-UHFFFAOYSA-N
Compound name
N-(1-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 151.7
[M+Na]+ 257.16244 154.7
[M-H]- 233.16594 154.0
[M+NH4]+ 252.20704 158.2
[M+K]+ 273.13638 155.1
[M+H-H2O]+ 217.17048 147.0
[M+HCOO]- 279.17142 159.8
[M+CH3COO]- 293.18707 156.0
[M+Na-2H]- 255.14789 152.5
[M]+ 234.17267 149.5
[M]- 234.17377 149.5
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.