CID 129320492

2-(3-{3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}oxiran-2-yl)-5,6-dihydro-1h-pyridin-2-ol

Structural Information

Molecular Formula
C12H17NO3
SMILES
C/C=C/C1C(O1)C2C(O2)C3(C=CCCN3)O
InChI
InChI=1S/C12H17NO3/c1-2-5-8-9(15-8)10-11(16-10)12(14)6-3-4-7-13-12/h2-3,5-6,8-11,13-14H,4,7H2,1H3/b5-2+
InChIKey
QSYTXMHEWSENTC-GORDUTHDSA-N
Compound name
6-[3-[3-[(E)-prop-1-enyl]oxiran-2-yl]oxiran-2-yl]-2,3-dihydro-1H-pyridin-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 135.4
[M+Na]+ 246.11007 148.0
[M+NH4]+ 241.15467 144.1
[M+K]+ 262.08401 146.0
[M-H]- 222.11357 152.1
[M+Na-2H]- 244.09552 146.4
[M]+ 223.12030 144.0
[M]- 223.12140 144.0
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.