CID 12376512

4-(aminomethyl)-2-bromophenol hydrobromide

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C1=CC(=C(C=C1CN)Br)O
InChI
InChI=1S/C7H8BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H,4,9H2
InChIKey
AOZGJQUAZCZJOH-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-bromophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

200.97893 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 133.7
[M+Na]+ 223.968148 145.3
[M-H]- 199.971654 138.6
[M+NH4]+ 219.012753 155.5
[M+K]+ 239.942088 133.7
[M+H-H2O]+ 183.976190 133.7
[M+HCOO]- 245.977131 155.2
[M+CH3COO]- 259.992781 181.7
[M+Na-2H]- 221.953596 141.0
[M]+ 200.97838142 149.9
[M]- 200.97947858 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe