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]+ 212.12813 148.2
[M+Na]+ 234.11007 153.7
[M-H]- 210.11357 147.9
[M+NH4]+ 229.15467 164.8
[M+K]+ 250.08401 151.3
[M+H-H2O]+ 194.11811 142.6
[M+HCOO]- 256.11905 167.2
[M+CH3COO]- 270.13470 185.1
[M+Na-2H]- 232.09552 150.1
[M]+ 211.12030 146.2
[M]- 211.12140 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.