CID 117281

Einecs 247-297-5

Structural Information

Molecular Formula
C18H32N2O2
SMILES
CCC1CN1C(=O)CCCCCCCCC(=O)N2CC2CC
InChI
InChI=1S/C18H32N2O2/c1-3-15-13-19(15)17(21)11-9-7-5-6-8-10-12-18(22)20-14-16(20)4-2/h15-16H,3-14H2,1-2H3
InChIKey
AHHONKNNDPIASR-UHFFFAOYSA-N
Compound name
1,10-bis(2-ethylaziridin-1-yl)decane-1,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.24637 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.25365 191.9
[M+Na]+ 331.23559 197.2
[M-H]- 307.23909 195.3
[M+NH4]+ 326.28019 194.3
[M+K]+ 347.20953 192.2
[M+H-H2O]+ 291.24363 183.6
[M+HCOO]- 353.24457 206.6
[M+CH3COO]- 367.26022 217.7
[M+Na-2H]- 329.22104 187.9
[M]+ 308.24582 199.4
[M]- 308.24692 199.4
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.