CID 61390217

1-{2-bromo-6-[(methylamino)methyl]phenoxy}-2-methylpropan-2-ol hydrochloride

Structural Information

Molecular Formula
C12H18BrNO2
SMILES
CC(C)(COC1=C(C=CC=C1Br)CNC)O
InChI
InChI=1S/C12H18BrNO2/c1-12(2,15)8-16-11-9(7-14-3)5-4-6-10(11)13/h4-6,14-15H,7-8H2,1-3H3
InChIKey
MFAFBZXPJCCODR-UHFFFAOYSA-N
Compound name
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0521 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05938 159.5
[M+Na]+ 310.04132 169.3
[M-H]- 286.04482 164.2
[M+NH4]+ 305.08592 178.2
[M+K]+ 326.01526 157.7
[M+H-H2O]+ 270.04936 158.8
[M+HCOO]- 332.05030 178.6
[M+CH3COO]- 346.06595 198.8
[M+Na-2H]- 308.02677 165.7
[M]+ 287.05155 179.1
[M]- 287.05265 179.1
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.