CID 55807

Benzyl alcohol, 3-hydroxy-alpha-((((4-methoxyphenyl)methyl)amino)methyl)-, hydrochloride

Structural Information

Molecular Formula
C16H19NO4
SMILES
COC1=C(C=C(C=C1)CNCC(C2=CC(=CC=C2)O)O)O
InChI
InChI=1S/C16H19NO4/c1-21-16-6-5-11(7-14(16)19)9-17-10-15(20)12-3-2-4-13(18)8-12/h2-8,15,17-20H,9-10H2,1H3
InChIKey
USIYBOHQTUGYSO-UHFFFAOYSA-N
Compound name
5-[[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 166.1
[M+Na]+ 312.12062 171.6
[M-H]- 288.12412 168.9
[M+NH4]+ 307.16522 179.2
[M+K]+ 328.09456 167.8
[M+H-H2O]+ 272.12866 158.5
[M+HCOO]- 334.12960 186.0
[M+CH3COO]- 348.14525 198.5
[M+Na-2H]- 310.10607 168.7
[M]+ 289.13085 165.8
[M]- 289.13195 165.8
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.