CID 3053524

Phenol, m-(2-(phenethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C16H19NO
SMILES
C1=CC=C(C=C1)CCNCCC2=CC(=CC=C2)O
InChI
InChI=1S/C16H19NO/c18-16-8-4-7-15(13-16)10-12-17-11-9-14-5-2-1-3-6-14/h1-8,13,17-18H,9-12H2
InChIKey
FAOLIDCCLDGJQA-UHFFFAOYSA-N
Compound name
3-[2-(2-phenylethylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

241.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 155.9
[M+Na]+ 264.135888 161.3
[M-H]- 240.139394 160.7
[M+NH4]+ 259.180493 172.2
[M+K]+ 280.109828 156.4
[M+H-H2O]+ 224.143930 148.2
[M+HCOO]- 286.144871 179.4
[M+CH3COO]- 300.160521 193.5
[M+Na-2H]- 262.121336 162.2
[M]+ 241.14612142 154.9
[M]- 241.14721858 154.9
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