CID 139596596

4-(4-amino-1-hydroxy-2-methylbutyl)benzene-1,2-diol

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(CCN)C(C1=CC(=C(C=C1)O)O)O
InChI
InChI=1S/C11H17NO3/c1-7(4-5-12)11(15)8-2-3-9(13)10(14)6-8/h2-3,6-7,11,13-15H,4-5,12H2,1H3
InChIKey
PJNFQQGAPHCWNF-UHFFFAOYSA-N
Compound name
4-(4-amino-1-hydroxy-2-methylbutyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 148.8
[M+Na]+ 234.110068 154.3
[M-H]- 210.113574 148.0
[M+NH4]+ 229.154673 165.1
[M+K]+ 250.084008 151.6
[M+H-H2O]+ 194.118110 143.2
[M+HCOO]- 256.119051 167.1
[M+CH3COO]- 270.134701 184.5
[M+Na-2H]- 232.095516 149.6
[M]+ 211.12030142 145.8
[M]- 211.12139858 145.8
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.