CID 202690

13096-22-5

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1CN1C(=O)C2=CN=CC=C2
InChI
InChI=1S/C8H8N2O/c11-8(10-4-5-10)7-2-1-3-9-6-7/h1-3,6H,4-5H2
InChIKey
FKQIQYJYXCZCMQ-UHFFFAOYSA-N
Compound name
aziridin-1-yl(pyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 133.8
[M+Na]+ 171.05288 148.3
[M+NH4]+ 166.09748 142.6
[M+K]+ 187.02682 143.5
[M-H]- 147.05638 142.7
[M+Na-2H]- 169.03833 144.3
[M]+ 148.06311 139.4
[M]- 148.06421 139.4
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.