CID 23081180

3-(2-methyloxiran-2-yl)pyridine

Structural Information

Molecular Formula
C8H9NO
SMILES
CC1(CO1)C2=CN=CC=C2
InChI
InChI=1S/C8H9NO/c1-8(6-10-8)7-3-2-4-9-5-7/h2-5H,6H2,1H3
InChIKey
UQCWLNFMSBBTOS-UHFFFAOYSA-N
Compound name
3-(2-methyloxiran-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

135.06842 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 128.8
[M+Na]+ 158.057638 139.4
[M-H]- 134.061144 136.3
[M+NH4]+ 153.102243 145.1
[M+K]+ 174.031578 139.6
[M+H-H2O]+ 118.065680 122.2
[M+HCOO]- 180.066621 151.9
[M+CH3COO]- 194.082271 143.3
[M+Na-2H]- 156.043086 139.5
[M]+ 135.06787142 132.3
[M]- 135.06896858 132.3
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

patents stripe