CID 12259717

4-(1-amino-2-methylpropan-2-yl)benzene-1,2-diol hydrobromide

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC(C)(CN)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C10H15NO2/c1-10(2,6-11)7-3-4-8(12)9(13)5-7/h3-5,12-13H,6,11H2,1-2H3
InChIKey
KKIQYMFGYQVVSX-UHFFFAOYSA-N
Compound name
4-(1-amino-2-methylpropan-2-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 140.1
[M+Na]+ 204.09950 147.6
[M-H]- 180.10300 141.1
[M+NH4]+ 199.14410 158.8
[M+K]+ 220.07344 144.8
[M+H-H2O]+ 164.10754 135.3
[M+HCOO]- 226.10848 160.6
[M+CH3COO]- 240.12413 180.2
[M+Na-2H]- 202.08495 145.3
[M]+ 181.10973 138.0
[M]- 181.11083 138.0
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.