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

1658
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

literature stripe

Patent stripe

patents stripe