CID 77130705

2287270-52-2

Structural Information

Molecular Formula
C8H10INO
SMILES
C1=CC(=CC(=C1)I)C(CO)N
InChI
InChI=1S/C8H10INO/c9-7-3-1-2-6(4-7)8(10)5-11/h1-4,8,11H,5,10H2
InChIKey
DVVISPFLNUQZPZ-UHFFFAOYSA-N
Compound name
2-amino-2-(3-iodophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.9807 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.98798 147.0
[M+Na]+ 285.96992 146.7
[M-H]- 261.97342 141.9
[M+NH4]+ 281.01452 161.7
[M+K]+ 301.94386 150.2
[M+H-H2O]+ 245.97796 137.6
[M+HCOO]- 307.97890 164.4
[M+CH3COO]- 321.99455 185.5
[M+Na-2H]- 283.95537 139.2
[M]+ 262.98015 141.5
[M]- 262.98125 141.5
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.