CID 5324275

2-butanone oxime

Structural Information

Molecular Formula
C4H9NO
SMILES
CC/C(=N/O)/C
InChI
InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4+
InChIKey
WHIVNJATOVLWBW-SNAWJCMRSA-N
Compound name
(NE)-N-butan-2-ylidenehydroxylamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

33676
Patents

87.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 116.1
[M+Na]+ 110.05763 126.0
[M+NH4]+ 105.10223 124.4
[M+K]+ 126.03157 121.2
[M-H]- 86.061134 116.1
[M+Na-2H]- 108.04308 120.5
[M]+ 87.067861 117.2
[M]- 87.068959 117.2
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