CID 200957

2-(4-benzyloxy-phenyl)-ethylamine

Structural Information

Molecular Formula
C15H17NO
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN
InChI
InChI=1S/C15H17NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10-12,16H2
InChIKey
MKKMZZXGIORPMU-UHFFFAOYSA-N
Compound name
2-(4-phenylmethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

200
Patents

227.13101 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 151.8
[M+Na]+ 250.12023 158.1
[M-H]- 226.12373 157.7
[M+NH4]+ 245.16483 169.2
[M+K]+ 266.09417 154.0
[M+H-H2O]+ 210.12827 144.1
[M+HCOO]- 272.12921 176.6
[M+CH3COO]- 286.14486 192.4
[M+Na-2H]- 248.10568 158.0
[M]+ 227.13046 151.4
[M]- 227.13156 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe