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

82
Patents

135.06842 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 128.8
[M+Na]+ 158.05764 139.4
[M-H]- 134.06114 136.3
[M+NH4]+ 153.10224 145.1
[M+K]+ 174.03158 139.6
[M+H-H2O]+ 118.06568 122.2
[M+HCOO]- 180.06662 151.9
[M+CH3COO]- 194.08227 143.3
[M+Na-2H]- 156.04309 139.5
[M]+ 135.06787 132.3
[M]- 135.06897 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