CID 92468

56623-33-7

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CCC(=O)OC(C)(C)N=NC(C)(C)OC(=O)CC
InChI
InChI=1S/C12H22N2O4/c1-7-9(15)17-11(3,4)13-14-12(5,6)18-10(16)8-2/h7-8H2,1-6H3
InChIKey
FMRUGYOCBGTDAC-UHFFFAOYSA-N
Compound name
2-(2-propanoyloxypropan-2-yldiazenyl)propan-2-yl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

258.15796 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 159.5
[M+Na]+ 281.147178 164.7
[M-H]- 257.150684 162.3
[M+NH4]+ 276.191783 177.3
[M+K]+ 297.121118 166.7
[M+H-H2O]+ 241.155220 153.8
[M+HCOO]- 303.156161 182.9
[M+CH3COO]- 317.171811 205.9
[M+Na-2H]- 279.132626 164.7
[M]+ 258.15741142 166.5
[M]- 258.15850858 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe