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 160.6
[M+Na]+ 246.11007 167.7
[M-H]- 222.11357 167.9
[M+NH4]+ 241.15467 165.1
[M+K]+ 262.08401 167.9
[M+H-H2O]+ 206.11811 154.5
[M+HCOO]- 268.11905 173.5
[M+CH3COO]- 282.13470 195.0
[M+Na-2H]- 244.09552 164.0
[M]+ 223.12030 163.4
[M]- 223.12140 163.4
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.