CID 95715

Ethylenimine quinone

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1CN1C2=CC(=O)C(=CC2=O)N3CC3
InChI
InChI=1S/C10H10N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6H,1-4H2
InChIKey
RCWJMKCTHJPXJV-UHFFFAOYSA-N
Compound name
2,5-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

157
Patents

190.07423 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 162.4
[M+Na]+ 213.06345 171.8
[M-H]- 189.06695 169.7
[M+NH4]+ 208.10805 168.4
[M+K]+ 229.03739 168.1
[M+H-H2O]+ 173.07149 154.7
[M+HCOO]- 235.07243 180.9
[M+CH3COO]- 249.08808 195.4
[M+Na-2H]- 211.04890 163.9
[M]+ 190.07368 165.2
[M]- 190.07478 165.2
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