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]+ 224.128126 160.6
[M+Na]+ 246.110068 167.7
[M-H]- 222.113574 167.9
[M+NH4]+ 241.154673 165.1
[M+K]+ 262.084008 167.9
[M+H-H2O]+ 206.118110 154.5
[M+HCOO]- 268.119051 173.5
[M+CH3COO]- 282.134701 195.0
[M+Na-2H]- 244.095516 164.0
[M]+ 223.12030142 163.4
[M]- 223.12139858 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.