CID 129320276

2-(3-{3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}oxiran-2-yl)-5,6-dihydropyridine

Structural Information

Molecular Formula
C12H15NO2
SMILES
C/C=C/C1C(O1)C2C(O2)C3=NCCC=C3
InChI
InChI=1S/C12H15NO2/c1-2-5-9-11(14-9)12-10(15-12)8-6-3-4-7-13-8/h2-3,5-6,9-12H,4,7H2,1H3/b5-2+
InChIKey
NRSAEIUAIRCEAW-GORDUTHDSA-N
Compound name
6-[3-[3-[(E)-prop-1-enyl]oxiran-2-yl]oxiran-2-yl]-2,3-dihydropyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 159.2
[M+Na]+ 228.09950 167.4
[M-H]- 204.10300 168.8
[M+NH4]+ 223.14410 163.9
[M+K]+ 244.07344 167.4
[M+H-H2O]+ 188.10754 151.3
[M+HCOO]- 250.10848 176.5
[M+CH3COO]- 264.12413 169.2
[M+Na-2H]- 226.08495 162.9
[M]+ 205.10973 164.0
[M]- 205.11083 164.0
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.