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]+ 272.16451 163.9
[M+Na]+ 294.14645 169.6
[M-H]- 270.14995 168.9
[M+NH4]+ 289.19105 179.2
[M+K]+ 310.12039 165.2
[M+H-H2O]+ 254.15449 155.8
[M+HCOO]- 316.15543 187.2
[M+CH3COO]- 330.17108 199.7
[M+Na-2H]- 292.13190 168.8
[M]+ 271.15668 165.0
[M]- 271.15778 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.