CID 2733287

136849-72-4

Structural Information

Molecular Formula
C10H17N4O3
SMILES
CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N
InChI
InChI=1S/C10H17N4O3/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5/h6H2,1-5H3/q+1
InChIKey
WWGJEDDFWJBVPW-UHFFFAOYSA-N
Compound name
[[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3858
Patents

241.13007 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13735 157.1
[M+Na]+ 264.11929 162.7
[M-H]- 240.12279 161.1
[M+NH4]+ 259.16389 173.1
[M+K]+ 280.09323 161.1
[M+H-H2O]+ 224.12733 145.9
[M+HCOO]- 286.12827 179.0
[M+CH3COO]- 300.14392 210.1
[M+Na-2H]- 262.10474 159.9
[M]+ 241.12952 154.5
[M]- 241.13062 154.5
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