CID 469953

4,7-diisopropyl-2,9-dioxo-3,8-dioxa-4,7-diazadecane

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CC(C)N(CCN(C(C)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C12H24N2O4/c1-9(2)13(17-11(5)15)7-8-14(10(3)4)18-12(6)16/h9-10H,7-8H2,1-6H3
InChIKey
VFAXNFRFBGESRW-UHFFFAOYSA-N
Compound name
[2-[acetyloxy(propan-2-yl)amino]ethyl-propan-2-ylamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.1736 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18088 164.1
[M+Na]+ 283.16282 167.3
[M-H]- 259.16632 166.6
[M+NH4]+ 278.20742 181.4
[M+K]+ 299.13676 171.0
[M+H-H2O]+ 243.17086 157.3
[M+HCOO]- 305.17180 186.4
[M+CH3COO]- 319.18745 210.4
[M+Na-2H]- 281.14827 162.2
[M]+ 260.17305 170.3
[M]- 260.17415 170.3
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

No patent data available for this compound.