CID 3053493

Guaiacol, 4-(2-(phenethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C17H21NO2
SMILES
COC1=C(C=CC(=C1)CCNCCC2=CC=CC=C2)O
InChI
InChI=1S/C17H21NO2/c1-20-17-13-15(7-8-16(17)19)10-12-18-11-9-14-5-3-2-4-6-14/h2-8,13,18-19H,9-12H2,1H3
InChIKey
SAENVBBKIQEAAC-UHFFFAOYSA-N
Compound name
2-methoxy-4-[2-(2-phenylethylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 163.9
[M+Na]+ 294.146448 169.6
[M-H]- 270.149954 168.9
[M+NH4]+ 289.191053 179.2
[M+K]+ 310.120388 165.2
[M+H-H2O]+ 254.154490 155.8
[M+HCOO]- 316.155431 187.2
[M+CH3COO]- 330.171081 199.7
[M+Na-2H]- 292.131896 168.8
[M]+ 271.15668142 165.0
[M]- 271.15777858 165.0
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.