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]+ 206.117556 159.2
[M+Na]+ 228.099498 167.4
[M-H]- 204.103004 168.8
[M+NH4]+ 223.144103 163.9
[M+K]+ 244.073438 167.4
[M+H-H2O]+ 188.107540 151.3
[M+HCOO]- 250.108481 176.5
[M+CH3COO]- 264.124131 169.2
[M+Na-2H]- 226.084946 162.9
[M]+ 205.10973142 164.0
[M]- 205.11082858 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.