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

8
Patents

200.05455 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06183 137.5
[M+Na]+ 223.04377 143.2
[M-H]- 199.04727 141.8
[M+NH4]+ 218.08837 156.5
[M+K]+ 239.01771 140.7
[M+H-H2O]+ 183.05181 135.0
[M+HCOO]- 245.05275 170.1
[M+CH3COO]- 259.06840 190.4
[M+Na-2H]- 221.02922 146.7
[M]+ 200.05400 139.9
[M]- 200.05510 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