CID 202690

Pyridine, 3-(1-aziridinylcarbonyl)-

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]+ 149.070936 135.6
[M+Na]+ 171.052878 145.5
[M-H]- 147.056384 140.5
[M+NH4]+ 166.097483 149.2
[M+K]+ 187.026818 142.6
[M+H-H2O]+ 131.060920 127.5
[M+HCOO]- 193.061861 158.0
[M+CH3COO]- 207.077511 177.2
[M+Na-2H]- 169.038326 143.0
[M]+ 148.06311142 137.0
[M]- 148.06420858 137.0
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.