CID 25619

Bis(2-isocyanatoethyl) carbonate

Structural Information

Molecular Formula
C7H8N2O5
SMILES
C(COC(=O)OCCN=C=O)N=C=O
InChI
InChI=1S/C7H8N2O5/c10-5-8-1-3-13-7(12)14-4-2-9-6-11/h1-4H2
InChIKey
DZYFUUQMKQBVBY-UHFFFAOYSA-N
Compound name
bis(2-isocyanatoethyl) carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4254
Patents

200.04332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05060 136.8
[M+Na]+ 223.03254 143.9
[M-H]- 199.03604 139.8
[M+NH4]+ 218.07714 156.5
[M+K]+ 239.00648 145.0
[M+H-H2O]+ 183.04058 130.3
[M+HCOO]- 245.04152 166.5
[M+CH3COO]- 259.05717 189.1
[M+Na-2H]- 221.01799 143.9
[M]+ 200.04277 143.4
[M]- 200.04387 143.4
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