CID 308818

2-(2-phenylethyl)aniline

Structural Information

Molecular Formula
C14H15N
SMILES
C1=CC=C(C=C1)CCC2=CC=CC=C2N
InChI
InChI=1S/C14H15N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11,15H2
InChIKey
WTPXECNTVYUIGM-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

432
Patents

197.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.127726 143.7
[M+Na]+ 220.109668 150.6
[M-H]- 196.113174 149.9
[M+NH4]+ 215.154273 162.4
[M+K]+ 236.083608 146.2
[M+H-H2O]+ 180.117710 136.6
[M+HCOO]- 242.118651 168.6
[M+CH3COO]- 256.134301 187.4
[M+Na-2H]- 218.095116 150.6
[M]+ 197.11990142 141.5
[M]- 197.12099858 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe