CID 63815242

2-[2-(4-methylphenoxy)phenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C15H17NO
SMILES
CC1=CC=C(C=C1)OC2=CC=CC=C2CCN
InChI
InChI=1S/C15H17NO/c1-12-6-8-14(9-7-12)17-15-5-3-2-4-13(15)10-11-16/h2-9H,10-11,16H2,1H3
InChIKey
KMWQENHLXLVNPL-UHFFFAOYSA-N
Compound name
2-[2-(4-methylphenoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 152.7
[M+Na]+ 250.12023 167.3
[M+NH4]+ 245.16483 162.1
[M+K]+ 266.09417 158.8
[M-H]- 226.12373 158.6
[M+Na-2H]- 248.10568 162.6
[M]+ 227.13046 156.6
[M]- 227.13156 156.6
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

No patent data available for this compound.