CID 28894

Alpha-(aminomethyl)-3,4,5-trimethoxy-benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C11H17NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(CN)O
InChI
InChI=1S/C11H17NO4/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5,8,13H,6,12H2,1-3H3
InChIKey
BHURFCFBOPXSCN-UHFFFAOYSA-N
Compound name
2-amino-1-(3,4,5-trimethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

227.11575 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 149.9
[M+Na]+ 250.10497 160.1
[M+NH4]+ 245.14957 156.3
[M+K]+ 266.07891 156.1
[M-H]- 226.10847 150.6
[M+Na-2H]- 248.09042 153.8
[M]+ 227.11520 151.2
[M]- 227.11630 151.2
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

patents stripe