CID 9570596

Brn 1903832

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC(C)C(=O)/C=N/O
InChI
InChI=1S/C5H9NO2/c1-4(2)5(7)3-6-8/h3-4,8H,1-2H3/b6-3+
InChIKey
BSUGHLDHXKECIF-ZZXKWVIFSA-N
Compound name
(1E)-1-hydroxyimino-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.06333 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 123.3
[M+Na]+ 138.05255 132.2
[M+NH4]+ 133.09715 130.4
[M+K]+ 154.02649 128.4
[M-H]- 114.05605 122.2
[M+Na-2H]- 136.03800 126.4
[M]+ 115.06278 123.8
[M]- 115.06388 123.8
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.