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

4357
Patents

200.04332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.050596 136.8
[M+Na]+ 223.032538 143.9
[M-H]- 199.036044 139.8
[M+NH4]+ 218.077143 156.5
[M+K]+ 239.006478 145.0
[M+H-H2O]+ 183.040580 130.3
[M+HCOO]- 245.041521 166.5
[M+CH3COO]- 259.057171 189.1
[M+Na-2H]- 221.017986 143.9
[M]+ 200.04277142 143.4
[M]- 200.04386858 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