CID 117594

2-methyl-2-propyl-1,3-propanediol dicarbazate

Structural Information

Molecular Formula
C9H20N4O4
SMILES
CCCC(C)(COC(=O)NN)COC(=O)NN
InChI
InChI=1S/C9H20N4O4/c1-3-4-9(2,5-16-7(14)12-10)6-17-8(15)13-11/h3-6,10-11H2,1-2H3,(H,12,14)(H,13,15)
InChIKey
XSFBORDMYWGLRU-UHFFFAOYSA-N
Compound name
[2-(hydrazinecarbonyloxymethyl)-2-methylpentyl] N-aminocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14845 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15573 155.7
[M+Na]+ 271.13767 158.6
[M-H]- 247.14117 154.5
[M+NH4]+ 266.18227 170.9
[M+K]+ 287.11161 159.4
[M+H-H2O]+ 231.14571 148.7
[M+HCOO]- 293.14665 179.0
[M+CH3COO]- 307.16230 201.4
[M+Na-2H]- 269.12312 158.5
[M]+ 248.14790 154.8
[M]- 248.14900 154.8
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

No patent data available for this compound.