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

12
Patents

146.06914 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.07642 130.1
[M+Na]+ 169.05836 134.4
[M-H]- 145.06186 133.9
[M+NH4]+ 164.10296 147.4
[M+K]+ 185.03230 136.7
[M+H-H2O]+ 129.06640 123.7
[M+HCOO]- 191.06734 150.9
[M+CH3COO]- 205.08299 175.2
[M+Na-2H]- 167.04381 137.4
[M]+ 146.06859 125.8
[M]- 146.06969 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