CID 16771131

2-(2-phenylethoxy)aniline

Structural Information

Molecular Formula
C14H15NO
SMILES
C1=CC=C(C=C1)CCOC2=CC=CC=C2N
InChI
InChI=1S/C14H15NO/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9H,10-11,15H2
InChIKey
XHTYNSVPAGBEAU-UHFFFAOYSA-N
Compound name
2-(2-phenylethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.11537 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 147.2
[M+Na]+ 236.10459 154.0
[M-H]- 212.10809 153.3
[M+NH4]+ 231.14919 165.2
[M+K]+ 252.07853 150.1
[M+H-H2O]+ 196.11263 139.7
[M+HCOO]- 258.11357 172.3
[M+CH3COO]- 272.12922 189.4
[M+Na-2H]- 234.09004 154.0
[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