CID 6409633

2,3-butanedione monoxime

Structural Information

Molecular Formula
C4H7NO2
SMILES
C/C(=N\O)/C(=O)C
InChI
InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3/b5-3+
InChIKey
FSEUPUDHEBLWJY-HWKANZROSA-N
Compound name
(3E)-3-hydroxyiminobutan-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

525
References

6107
Patents

101.047676 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 117.6
[M+Na]+ 124.03689 125.0
[M-H]- 100.04040 118.5
[M+NH4]+ 119.08150 140.5
[M+K]+ 140.01083 125.9
[M+H-H2O]+ 84.044936 113.2
[M+HCOO]- 146.04588 142.0
[M+CH3COO]- 160.06153 169.0
[M+Na-2H]- 122.02234 123.5
[M]+ 101.04713 117.4
[M]- 101.04822 117.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe