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]+ 173.128466 140.5
[M+Na]+ 195.110408 145.4
[M-H]- 171.113914 142.0
[M+NH4]+ 190.155013 160.7
[M+K]+ 211.084348 146.7
[M+H-H2O]+ 155.118450 134.5
[M+HCOO]- 217.119391 165.0
[M+CH3COO]- 231.135041 189.6
[M+Na-2H]- 193.095856 143.5
[M]+ 172.12064142 142.2
[M]- 172.12173858 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.