CID 23460

Ethanamine, 2-isocyanato-n-(2-isocyanatoethyl)-n-nitro-

Structural Information

Molecular Formula
C6H8N4O4
SMILES
C(CN(CCN=C=O)[N+](=O)[O-])N=C=O
InChI
InChI=1S/C6H8N4O4/c11-5-7-1-3-9(10(13)14)4-2-8-6-12/h1-4H2
InChIKey
PMZAXZNFRDOMGE-UHFFFAOYSA-N
Compound name
N,N-bis(2-isocyanatoethyl)nitramide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

200.05455 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.061826 137.5
[M+Na]+ 223.043768 143.2
[M-H]- 199.047274 141.8
[M+NH4]+ 218.088373 156.5
[M+K]+ 239.017708 140.7
[M+H-H2O]+ 183.051810 135.0
[M+HCOO]- 245.052751 170.1
[M+CH3COO]- 259.068401 190.4
[M+Na-2H]- 221.029216 146.7
[M]+ 200.05400142 139.9
[M]- 200.05509858 139.9
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

patents stripe