CID 28995697

3-[(2-phenylethoxy)methyl]aniline

Structural Information

Molecular Formula
C15H17NO
SMILES
C1=CC=C(C=C1)CCOCC2=CC(=CC=C2)N
InChI
InChI=1S/C15H17NO/c16-15-8-4-7-14(11-15)12-17-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12,16H2
InChIKey
ZEYCXHQIDKKZBW-UHFFFAOYSA-N
Compound name
3-(2-phenylethoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.13101 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.