CID 21713018

2-amino-3-(4-iodophenyl)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C9H12INO
SMILES
C1=CC(=CC=C1CC(CO)N)I
InChI
InChI=1S/C9H12INO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2
InChIKey
MPCOBLKNQSOAGC-UHFFFAOYSA-N
Compound name
2-amino-3-(4-iodophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

276.99637 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.00365 151.9
[M+Na]+ 299.98559 151.2
[M-H]- 275.98909 146.6
[M+NH4]+ 295.03019 166.0
[M+K]+ 315.95953 154.4
[M+H-H2O]+ 259.99363 142.3
[M+HCOO]- 321.99457 168.9
[M+CH3COO]- 336.01022 188.4
[M+Na-2H]- 297.97104 143.5
[M]+ 276.99582 146.7
[M]- 276.99692 146.7
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