CID 130574275

3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol hydrochloride

Structural Information

Molecular Formula
C11H16BrNO
SMILES
CC(C(C)(CC1=CC(=CC=C1)Br)O)N
InChI
InChI=1S/C11H16BrNO/c1-8(13)11(2,14)7-9-4-3-5-10(12)6-9/h3-6,8,14H,7,13H2,1-2H3
InChIKey
RAZYKNNGBIMZOR-UHFFFAOYSA-N
Compound name
3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.04153 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04881 154.0
[M+Na]+ 280.03075 163.2
[M-H]- 256.03425 158.2
[M+NH4]+ 275.07535 173.4
[M+K]+ 296.00469 151.4
[M+H-H2O]+ 240.03879 153.7
[M+HCOO]- 302.03973 171.8
[M+CH3COO]- 316.05538 193.1
[M+Na-2H]- 278.01620 159.1
[M]+ 257.04098 170.1
[M]- 257.04208 170.1
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.