CID 46414

1-(3,4-dihydroxyphenyl)-2-methylamino-1-butanol hydrochloride

Structural Information

Molecular Formula
C11H17NO3
SMILES
CCC(C(C1=CC(=C(C=C1)O)O)O)NC
InChI
InChI=1S/C11H17NO3/c1-3-8(12-2)11(15)7-4-5-9(13)10(14)6-7/h4-6,8,11-15H,3H2,1-2H3
InChIKey
YHHSJZPJCLEQPS-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-(methylamino)butyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 148.2
[M+Na]+ 234.110068 153.7
[M-H]- 210.113574 147.9
[M+NH4]+ 229.154673 164.8
[M+K]+ 250.084008 151.3
[M+H-H2O]+ 194.118110 142.6
[M+HCOO]- 256.119051 167.2
[M+CH3COO]- 270.134701 185.1
[M+Na-2H]- 232.095516 150.1
[M]+ 211.12030142 146.2
[M]- 211.12139858 146.2
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

No patent data available for this compound.