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
1
Annotation Hits

0
References

63
Patents

294.23074 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.23802 185.4
[M+Na]+ 317.21996 191.1
[M-H]- 293.22346 189.4
[M+NH4]+ 312.26456 188.4
[M+K]+ 333.19390 187.1
[M+H-H2O]+ 277.22800 178.3
[M+HCOO]- 339.22894 198.3
[M+CH3COO]- 353.24459 216.3
[M+Na-2H]- 315.20541 181.8
[M]+ 294.23019 191.9
[M]- 294.23129 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