CID 91883216

4-(aminomethyl)-3-iodophenol hydrobromide

Structural Information

Molecular Formula
C7H8INO
SMILES
C1=CC(=C(C=C1O)I)CN
InChI
InChI=1S/C7H8INO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H,4,9H2
InChIKey
ORKHNSKBSZOINH-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-3-iodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.96506 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.972336 141.1
[M+Na]+ 271.954278 142.4
[M-H]- 247.957784 136.6
[M+NH4]+ 266.998883 156.8
[M+K]+ 287.928218 145.7
[M+H-H2O]+ 231.962320 132.1
[M+HCOO]- 293.963261 159.8
[M+CH3COO]- 307.978911 182.9
[M+Na-2H]- 269.939726 134.5
[M]+ 248.96451142 136.3
[M]- 248.96560858 136.3
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.