CID 20524425

4-(1-phenylethoxy)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

213.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 147.8
[M+Na]+ 236.10459 154.2
[M-H]- 212.10809 154.0
[M+NH4]+ 231.14919 165.7
[M+K]+ 252.07853 150.9
[M+H-H2O]+ 196.11263 140.4
[M+HCOO]- 258.11357 171.9
[M+CH3COO]- 272.12922 190.2
[M+Na-2H]- 234.09004 153.3
[M]+ 213.11482 146.4
[M]- 213.11592 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