CID 9570803

Diethyl-(2-hydroxyimino-3-oxobutyl)-methylammonium, iodide

Structural Information

Molecular Formula
C9H19N2O2
SMILES
CC[N+](C)(CC)C/C(=N/O)/C(=O)C
InChI
InChI=1S/C9H18N2O2/c1-5-11(4,6-2)7-9(10-13)8(3)12/h5-7H2,1-4H3/p+1
InChIKey
QVNREFZRXWCNTD-UHFFFAOYSA-O
Compound name
diethyl-[(2Z)-2-hydroxyimino-3-oxobutyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.14465 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.15193 140.0
[M+Na]+ 210.13387 145.4
[M-H]- 186.13737 141.9
[M+NH4]+ 205.17847 160.0
[M+K]+ 226.10781 140.5
[M+H-H2O]+ 170.14191 137.8
[M+HCOO]- 232.14285 163.4
[M+CH3COO]- 246.15850 184.7
[M+Na-2H]- 208.11932 147.4
[M]+ 187.14410 140.5
[M]- 187.14520 140.5
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.