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

0
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

No literature data available for this compound.

Patent stripe

patents stripe