CID 83924311

3-amino-2-[(3-bromo-4-methylphenyl)methyl]propan-1-ol hydrochloride

Structural Information

Molecular Formula
C11H16BrNO
SMILES
CC1=C(C=C(C=C1)CC(CN)CO)Br
InChI
InChI=1S/C11H16BrNO/c1-8-2-3-9(5-11(8)12)4-10(6-13)7-14/h2-3,5,10,14H,4,6-7,13H2,1H3
InChIKey
FYWBDJKLELUPOO-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(3-bromo-4-methylphenyl)propan-1-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 152.9
[M+Na]+ 280.03075 162.6
[M-H]- 256.03425 157.2
[M+NH4]+ 275.07535 172.5
[M+K]+ 296.00469 150.4
[M+H-H2O]+ 240.03879 152.2
[M+HCOO]- 302.03973 172.2
[M+CH3COO]- 316.05538 193.9
[M+Na-2H]- 278.01620 156.8
[M]+ 257.04098 169.8
[M]- 257.04208 169.8
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.