CID 64786398

Methyl n-(2-iodoacetyl)carbamate

Structural Information

Molecular Formula
C4H6INO3
SMILES
COC(=O)NC(=O)CI
InChI
InChI=1S/C4H6INO3/c1-9-4(8)6-3(7)2-5/h2H2,1H3,(H,6,7,8)
InChIKey
SRKXINLFILPTFQ-UHFFFAOYSA-N
Compound name
methyl N-(2-iodoacetyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.93924 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.94652 139.5
[M+Na]+ 265.92846 139.6
[M-H]- 241.93196 133.5
[M+NH4]+ 260.97306 155.9
[M+K]+ 281.90240 146.2
[M+H-H2O]+ 225.93650 130.9
[M+HCOO]- 287.93744 158.5
[M+CH3COO]- 301.95309 181.6
[M+Na-2H]- 263.91391 132.0
[M]+ 242.93869 138.0
[M]- 242.93979 138.0
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

patents stripe