CID 6412321

41078-09-5

Structural Information

Molecular Formula
C6H8N4O3
SMILES
CCNC(=O)NC(=O)/C(=N/O)/C#N
InChI
InChI=1S/C6H8N4O3/c1-2-8-6(12)9-5(11)4(3-7)10-13/h13H,2H2,1H3,(H2,8,9,11,12)/b10-4+
InChIKey
LKDPYACUJRSFNP-ONNFQVAWSA-N
Compound name
(2E)-2-cyano-N-(ethylcarbamoyl)-2-hydroxyiminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.05965 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06693 142.1
[M+Na]+ 207.04887 148.3
[M-H]- 183.05237 142.6
[M+NH4]+ 202.09347 158.5
[M+K]+ 223.02281 149.6
[M+H-H2O]+ 167.05691 129.3
[M+HCOO]- 229.05785 163.2
[M+CH3COO]- 243.07350 198.6
[M+Na-2H]- 205.03432 145.3
[M]+ 184.05910 135.6
[M]- 184.06020 135.6
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