CID 172804

Einecs 275-499-3

Structural Information

Molecular Formula
C17H30N2O2
SMILES
CCC1CN1C(=O)CC(C)CC(C)(C)C(=O)N2CC2CC
InChI
InChI=1S/C17H30N2O2/c1-6-13-10-18(13)15(20)8-12(3)9-17(4,5)16(21)19-11-14(19)7-2/h12-14H,6-11H2,1-5H3
InChIKey
RPKDVZHXJRQCTN-UHFFFAOYSA-N
Compound name
1,6-bis(2-ethylaziridin-1-yl)-2,2,4-trimethylhexane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

71
Patents

294.23074 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.238016 185.4
[M+Na]+ 317.219958 191.1
[M-H]- 293.223464 189.4
[M+NH4]+ 312.264563 188.4
[M+K]+ 333.193898 187.1
[M+H-H2O]+ 277.228000 178.3
[M+HCOO]- 339.228941 198.3
[M+CH3COO]- 353.244591 216.3
[M+Na-2H]- 315.205406 181.8
[M]+ 294.23019142 191.9
[M]- 294.23128858 191.9
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