CID 6435248

1,1'-vinylenedicarbonyldiaziridine

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1CN1C(=O)/C=C/C(=O)N2CC2
InChI
InChI=1S/C8H10N2O2/c11-7(9-3-4-9)1-2-8(12)10-5-6-10/h1-2H,3-6H2/b2-1+
InChIKey
SBVXMMRAFUHMJP-OWOJBTEDSA-N
Compound name
(E)-1,4-bis(aziridin-1-yl)but-2-ene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 158.5
[M+Na]+ 189.06345 166.3
[M-H]- 165.06695 163.0
[M+NH4]+ 184.10805 165.2
[M+K]+ 205.03739 163.3
[M+H-H2O]+ 149.07149 151.1
[M+HCOO]- 211.07243 176.2
[M+CH3COO]- 225.08808 190.0
[M+Na-2H]- 187.04890 159.7
[M]+ 166.07368 161.5
[M]- 166.07478 161.5
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.