CID 3071181

Tetrahydro-n-(1-phenylethyl)-2h-1,5-oxazocin-5(6h)-amine

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 149.8
[M+Na]+ 257.16244 153.3
[M+NH4]+ 252.20704 152.5
[M+K]+ 273.13638 152.5
[M-H]- 233.16594 151.5
[M+Na-2H]- 255.14789 153.3
[M]+ 234.17267 150.7
[M]- 234.17377 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.