CID 43348498

1,4-dioxane-2-carbohydrazide

Structural Information

Molecular Formula
C5H10N2O3
SMILES
C1COC(CO1)C(=O)NN
InChI
InChI=1S/C5H10N2O3/c6-7-5(8)4-3-9-1-2-10-4/h4H,1-3,6H2,(H,7,8)
InChIKey
SBUPBLSDZSZQBG-UHFFFAOYSA-N
Compound name
1,4-dioxane-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

146.06914 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.076416 130.1
[M+Na]+ 169.058358 134.4
[M-H]- 145.061864 133.9
[M+NH4]+ 164.102963 147.4
[M+K]+ 185.032298 136.7
[M+H-H2O]+ 129.066400 123.7
[M+HCOO]- 191.067341 150.9
[M+CH3COO]- 205.082991 175.2
[M+Na-2H]- 167.043806 137.4
[M]+ 146.06859142 125.8
[M]- 146.06968858 125.8
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

patents stripe