CID 9570722

3,5-heptanedione, 4-ethyl-, dioxime

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CCC(/C(=N/O)/CC)/C(=N/O)/CC
InChI
InChI=1S/C9H18N2O2/c1-4-7(8(5-2)10-12)9(6-3)11-13/h7,12-13H,4-6H2,1-3H3/b10-8+,11-9+
InChIKey
PDXXYPZTPKWGIJ-GFULKKFKSA-N
Compound name
(NE)-N-[(5E)-4-ethyl-5-hydroxyiminoheptan-3-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.13683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 145.9
[M+Na]+ 209.126048 150.2
[M-H]- 185.129554 145.9
[M+NH4]+ 204.170653 165.0
[M+K]+ 225.099988 150.3
[M+H-H2O]+ 169.134090 140.0
[M+HCOO]- 231.135031 168.7
[M+CH3COO]- 245.150681 189.4
[M+Na-2H]- 207.111496 147.9
[M]+ 186.13628142 146.0
[M]- 186.13737858 146.0
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.