CID 5324278

Butyraldehyde oxime

Structural Information

Molecular Formula
C4H9NO
SMILES
CCC/C=N/O
InChI
InChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3/b5-4+
InChIKey
KGGVGTQEGGOZRN-SNAWJCMRSA-N
Compound name
(NE)-N-butylidenehydroxylamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

2980
Patents

87.06841 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 115.3
[M+Na]+ 110.05763 122.8
[M-H]- 86.061134 115.9
[M+NH4]+ 105.10223 139.0
[M+K]+ 126.03157 123.0
[M+H-H2O]+ 70.065670 111.0
[M+HCOO]- 132.06661 141.2
[M+CH3COO]- 146.08226 166.2
[M+Na-2H]- 108.04308 123.7
[M]+ 87.067861 115.7
[M]- 87.068959 115.7
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.