CID 55017189

1-(oxan-4-yloxy)-1-phenylpropan-2-amine hydrochloride

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C(C1=CC=CC=C1)OC2CCOCC2)N
InChI
InChI=1S/C14H21NO2/c1-11(15)14(12-5-3-2-4-6-12)17-13-7-9-16-10-8-13/h2-6,11,13-14H,7-10,15H2,1H3
InChIKey
HIUSWVFHVDKMEN-UHFFFAOYSA-N
Compound name
1-(oxan-4-yloxy)-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 156.6
[M+Na]+ 258.14645 158.6
[M-H]- 234.14995 161.9
[M+NH4]+ 253.19105 171.5
[M+K]+ 274.12039 157.9
[M+H-H2O]+ 218.15449 148.7
[M+HCOO]- 280.15543 174.5
[M+CH3COO]- 294.17108 193.1
[M+Na-2H]- 256.13190 159.3
[M]+ 235.15668 151.8
[M]- 235.15778 151.8
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.