CID 71772614

1-(3-phenoxyphenyl)ethan-1-amine

Structural Information

Molecular Formula
C14H15NO
SMILES
CC(C1=CC(=CC=C1)OC2=CC=CC=C2)N
InChI
InChI=1S/C14H15NO/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-11H,15H2,1H3
InChIKey
KRCZPHITDAGPPK-UHFFFAOYSA-N
Compound name
1-(3-phenoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

213.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.122646 147.8
[M+Na]+ 236.104588 154.2
[M-H]- 212.108094 154.0
[M+NH4]+ 231.149193 165.7
[M+K]+ 252.078528 150.9
[M+H-H2O]+ 196.112630 140.4
[M+HCOO]- 258.113571 171.9
[M+CH3COO]- 272.129221 190.2
[M+Na-2H]- 234.090036 153.3
[M]+ 213.11482142 146.4
[M]- 213.11591858 146.4
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