CID 9570623

3,4-hexanedione, monooxime

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC/C(=N/O)/C(=O)CC
InChI
InChI=1S/C6H11NO2/c1-3-5(7-9)6(8)4-2/h9H,3-4H2,1-2H3/b7-5-
InChIKey
FEXFOJWILSEGPI-ALCCZGGFSA-N
Compound name
(4Z)-4-hydroxyiminohexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 127.0
[M+Na]+ 152.068198 133.6
[M-H]- 128.071704 127.5
[M+NH4]+ 147.112803 148.8
[M+K]+ 168.042138 134.0
[M+H-H2O]+ 112.076240 122.2
[M+HCOO]- 174.077181 150.8
[M+CH3COO]- 188.092831 175.1
[M+Na-2H]- 150.053646 131.8
[M]+ 129.07843142 127.6
[M]- 129.07952858 127.6
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.