CID 6435248

Aziridine, 1,1'-vinylenedicarbonyldi-

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]+ 167.081506 158.5
[M+Na]+ 189.063448 166.3
[M-H]- 165.066954 163.0
[M+NH4]+ 184.108053 165.2
[M+K]+ 205.037388 163.3
[M+H-H2O]+ 149.071490 151.1
[M+HCOO]- 211.072431 176.2
[M+CH3COO]- 225.088081 190.0
[M+Na-2H]- 187.048896 159.7
[M]+ 166.07368142 161.5
[M]- 166.07477858 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.