CID 3033553

N,n'-vinylenebis(3-iodopropionic acid carbamic acid anhydride)

Structural Information

Molecular Formula
C10H12I2N2O6
SMILES
C(CI)C(=O)OC(=O)N/C=C/NC(=O)OC(=O)CCI
InChI
InChI=1S/C10H12I2N2O6/c11-3-1-7(15)19-9(17)13-5-6-14-10(18)20-8(16)2-4-12/h5-6H,1-4H2,(H,13,17)(H,14,18)/b6-5+
InChIKey
SNXNGZCPLLSEST-AATRIKPKSA-N
Compound name
[(E)-2-(3-iodopropanoyloxycarbonylamino)ethenyl]carbamoyl 3-iodopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.87848 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.88576 186.2
[M+Na]+ 532.86770 176.2
[M-H]- 508.87120 175.3
[M+NH4]+ 527.91230 190.6
[M+K]+ 548.84164 187.6
[M+H-H2O]+ 492.87574 173.5
[M+HCOO]- 554.87668 196.8
[M+CH3COO]- 568.89233 220.0
[M+Na-2H]- 530.85315 168.1
[M]+ 509.87793 183.9
[M]- 509.87903 183.9
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.