CID 10903591

Methyl (2r)-2-{[(tert-butoxy)carbonyl]amino}-3-iodopropanoate

Structural Information

Molecular Formula
C9H16INO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CI)C(=O)OC
InChI
InChI=1S/C9H16INO4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5H2,1-4H3,(H,11,13)/t6-/m0/s1
InChIKey
UGZBFCCHLUWCQI-LURJTMIESA-N
Compound name
methyl (2R)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1144
Patents

329.01242 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.01970 166.6
[M+Na]+ 352.00164 165.0
[M-H]- 328.00514 160.2
[M+NH4]+ 347.04624 179.9
[M+K]+ 367.97558 171.8
[M+H-H2O]+ 312.00968 157.8
[M+HCOO]- 374.01062 182.0
[M+CH3COO]- 388.02627 198.3
[M+Na-2H]- 349.98709 156.3
[M]+ 329.01187 167.1
[M]- 329.01297 167.1
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