CID 21439915

Ns00064727

Structural Information

Molecular Formula
C15H17N
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2CCN
InChI
InChI=1S/C15H17N/c16-11-10-14-8-4-5-9-15(14)12-13-6-2-1-3-7-13/h1-9H,10-12,16H2
InChIKey
QWSUTGZKTVZPRT-UHFFFAOYSA-N
Compound name
2-(2-benzylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
Patents

211.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.143376 148.4
[M+Na]+ 234.125318 154.7
[M-H]- 210.128824 154.3
[M+NH4]+ 229.169923 166.5
[M+K]+ 250.099258 150.1
[M+H-H2O]+ 194.133360 140.9
[M+HCOO]- 256.134301 172.9
[M+CH3COO]- 270.149951 190.4
[M+Na-2H]- 232.110766 154.6
[M]+ 211.13555142 146.5
[M]- 211.13664858 146.5
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.