CID 43144740

1-amino-3-(4-iodophenoxy)propan-2-ol

Structural Information

Molecular Formula
C9H12INO2
SMILES
C1=CC(=CC=C1OCC(CN)O)I
InChI
InChI=1S/C9H12INO2/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2
InChIKey
JKYZIVQQARAEFL-UHFFFAOYSA-N
Compound name
1-amino-3-(4-iodophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.99127 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.99855 156.2
[M+Na]+ 315.98049 155.4
[M-H]- 291.98399 150.9
[M+NH4]+ 311.02509 169.6
[M+K]+ 331.95443 159.1
[M+H-H2O]+ 275.98853 146.2
[M+HCOO]- 337.98947 173.4
[M+CH3COO]- 352.00512 190.3
[M+Na-2H]- 313.96594 147.7
[M]+ 292.99072 152.3
[M]- 292.99182 152.3
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

patents stripe