CID 9570538

Brn 1743919

Structural Information

Molecular Formula
C4H7NO2
SMILES
CCC(=O)/C=N/O
InChI
InChI=1S/C4H7NO2/c1-2-4(6)3-5-7/h3,7H,2H2,1H3/b5-3+
InChIKey
NDQMJZCPBOBKQB-HWKANZROSA-N
Compound name
(1E)-1-hydroxyiminobutan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

101.047676 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 117.3
[M+Na]+ 124.03689 124.9
[M-H]- 100.04040 118.0
[M+NH4]+ 119.08150 140.2
[M+K]+ 140.01083 125.3
[M+H-H2O]+ 84.044936 112.8
[M+HCOO]- 146.04588 142.6
[M+CH3COO]- 160.06153 168.1
[M+Na-2H]- 122.02234 124.4
[M]+ 101.04713 117.7
[M]- 101.04822 117.7
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