CID 105547452

2-amino-3-(4-bromophenyl)-2-methylpropan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H14BrNO
SMILES
CC(CC1=CC=C(C=C1)Br)(CO)N
InChI
InChI=1S/C10H14BrNO/c1-10(12,7-13)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7,12H2,1H3
InChIKey
WMYIXIRNYLRYKD-UHFFFAOYSA-N
Compound name
2-amino-3-(4-bromophenyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.02588 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03316 149.0
[M+Na]+ 266.01510 158.9
[M-H]- 242.01860 153.3
[M+NH4]+ 261.05970 169.0
[M+K]+ 281.98904 146.9
[M+H-H2O]+ 226.02314 148.8
[M+HCOO]- 288.02408 168.1
[M+CH3COO]- 302.03973 189.5
[M+Na-2H]- 264.00055 155.8
[M]+ 243.02533 165.4
[M]- 243.02643 165.4
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.