CID 14506

Bis(1-aziridinyl) ketone

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1CN1C(=O)N2CC2
InChI
InChI=1S/C5H8N2O/c8-5(6-1-2-6)7-3-4-7/h1-4H2
InChIKey
XTSFUENKKGFYNX-UHFFFAOYSA-N
Compound name
bis(aziridin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

520
Patents

112.06366 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 146.4
[M+Na]+ 135.05288 154.9
[M-H]- 111.05638 151.2
[M+NH4]+ 130.09748 155.0
[M+K]+ 151.02682 153.2
[M+H-H2O]+ 95.060920 139.0
[M+HCOO]- 157.06186 165.2
[M+CH3COO]- 171.07751 182.2
[M+Na-2H]- 133.03833 149.9
[M]+ 112.06311 148.8
[M]- 112.06421 148.8
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