CID 53626297

4-[4-(benzyloxy)phenyl]oxan-4-amine hydrochloride

Structural Information

Molecular Formula
C18H21NO2
SMILES
C1COCCC1(C2=CC=C(C=C2)OCC3=CC=CC=C3)N
InChI
InChI=1S/C18H21NO2/c19-18(10-12-20-13-11-18)16-6-8-17(9-7-16)21-14-15-4-2-1-3-5-15/h1-9H,10-14,19H2
InChIKey
LAUWCWSXZMUNOW-UHFFFAOYSA-N
Compound name
4-(4-phenylmethoxyphenyl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.7
[M+Na]+ 306.14645 171.9
[M-H]- 282.14995 176.5
[M+NH4]+ 301.19105 182.6
[M+K]+ 322.12039 169.1
[M+H-H2O]+ 266.15449 158.6
[M+HCOO]- 328.15543 187.6
[M+CH3COO]- 342.17108 178.2
[M+Na-2H]- 304.13190 173.3
[M]+ 283.15668 163.6
[M]- 283.15778 163.6
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

patents stripe