CID 22309173

1260003-29-9

Structural Information

Molecular Formula
C13H16INO4
SMILES
CC(C)(C)OC(=O)NC(C1=CC(=CC=C1)I)C(=O)O
InChI
InChI=1S/C13H16INO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-5-4-6-9(14)7-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChIKey
JSDBVQFGTQTPDG-UHFFFAOYSA-N
Compound name
2-(3-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.01242 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.01970 177.7
[M+Na]+ 400.00164 178.3
[M+NH4]+ 395.04624 178.3
[M+K]+ 415.97558 178.3
[M-H]- 376.00514 170.5
[M+Na-2H]- 397.98709 167.4
[M]+ 377.01187 174.3
[M]- 377.01297 174.3
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

No patent data available for this compound.