CID 23680

S 41

Structural Information

Molecular Formula
C9H15I2NO4
SMILES
CN(CCOC(=O)CI)CCOC(=O)CI
InChI
InChI=1S/C9H15I2NO4/c1-12(2-4-15-8(13)6-10)3-5-16-9(14)7-11/h2-7H2,1H3
InChIKey
AEMNEQPTGFXBCU-UHFFFAOYSA-N
Compound name
2-[2-(2-iodoacetyl)oxyethyl-methylamino]ethyl 2-iodoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.90906 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.91634 171.8
[M+Na]+ 477.89828 162.7
[M-H]- 453.90178 161.8
[M+NH4]+ 472.94288 179.0
[M+K]+ 493.87222 175.0
[M+H-H2O]+ 437.90632 159.7
[M+HCOO]- 499.90726 183.2
[M+CH3COO]- 513.92291 216.1
[M+Na-2H]- 475.88373 155.4
[M]+ 454.90851 171.8
[M]- 454.90961 171.8
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.