CID 109259

68258-96-8

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1C(O1)CN2C=CC=CC2=N
InChI
InChI=1S/C8H10N2O/c9-8-3-1-2-4-10(8)5-7-6-11-7/h1-4,7,9H,5-6H2
InChIKey
PTIXQYZICHNHIO-UHFFFAOYSA-N
Compound name
1-(oxiran-2-ylmethyl)pyridin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.07932 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 131.4
[M+Na]+ 173.06854 141.7
[M-H]- 149.07204 138.7
[M+NH4]+ 168.11314 145.1
[M+K]+ 189.04248 139.6
[M+H-H2O]+ 133.07658 123.9
[M+HCOO]- 195.07752 155.9
[M+CH3COO]- 209.09317 180.0
[M+Na-2H]- 171.05399 140.8
[M]+ 150.07877 133.6
[M]- 150.07987 133.6
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.