CID 6399238

52900-90-0

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CCN(CC)C/C(=N\O)/C(=O)C
InChI
InChI=1S/C8H16N2O2/c1-4-10(5-2)6-8(9-12)7(3)11/h12H,4-6H2,1-3H3/b9-8+
InChIKey
BBPSIAQBMGMLEX-CMDGGOBGSA-N
Compound name
(3E)-4-(diethylamino)-3-hydroxyiminobutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 140.5
[M+Na]+ 195.11041 145.4
[M-H]- 171.11391 142.0
[M+NH4]+ 190.15501 160.7
[M+K]+ 211.08435 146.7
[M+H-H2O]+ 155.11845 134.5
[M+HCOO]- 217.11939 165.0
[M+CH3COO]- 231.13504 189.6
[M+Na-2H]- 193.09586 143.5
[M]+ 172.12064 142.2
[M]- 172.12174 142.2
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

No patent data available for this compound.