CID 82608038

4-(aminomethyl)-3-bromophenol hydrochloride

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C1=CC(=C(C=C1O)Br)CN
InChI
InChI=1S/C7H8BrNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H,4,9H2
InChIKey
VTHCLXQXQULTEB-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-3-bromophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.97893 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 134.2
[M+Na]+ 223.96815 137.3
[M+NH4]+ 219.01275 139.3
[M+K]+ 239.94209 137.5
[M-H]- 199.97165 135.2
[M+Na-2H]- 221.95360 137.8
[M]+ 200.97838 133.6
[M]- 200.97948 133.6
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

patents stripe