CID 5288643

Para-iodo-d-phenylalanine hydroxamic acid

Structural Information

Molecular Formula
C9H11IN2O2
SMILES
C1=CC(=CC=C1C[C@H](C(=O)NO)N)I
InChI
InChI=1S/C9H11IN2O2/c10-7-3-1-6(2-4-7)5-8(11)9(13)12-14/h1-4,8,14H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKey
AJEPKWPHKPETBM-MRVPVSSYSA-N
Compound name
(2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

305.98654 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99382 161.1
[M+Na]+ 328.97576 159.6
[M-H]- 304.97926 156.0
[M+NH4]+ 324.02036 173.6
[M+K]+ 344.94970 163.3
[M+H-H2O]+ 288.98380 150.9
[M+HCOO]- 350.98474 178.5
[M+CH3COO]- 365.00039 194.6
[M+Na-2H]- 326.96121 151.6
[M]+ 305.98599 155.2
[M]- 305.98709 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe