CID 46835656

3-(aminomethyl)-4-bromophenol hydrochloride

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C1=CC(=C(C=C1O)CN)Br
InChI
InChI=1S/C7H8BrNO/c8-7-2-1-6(10)3-5(7)4-9/h1-3,10H,4,9H2
InChIKey
ROSWINSPQZNXHU-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4-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]+ 201.98621 133.7
[M+Na]+ 223.96815 145.3
[M-H]- 199.97165 138.6
[M+NH4]+ 219.01275 155.5
[M+K]+ 239.94209 133.7
[M+H-H2O]+ 183.97619 133.7
[M+HCOO]- 245.97713 155.2
[M+CH3COO]- 259.99278 181.7
[M+Na-2H]- 221.95360 141.0
[M]+ 200.97838 149.9
[M]- 200.97948 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

No patent data available for this compound.