CID 135959527

6,7-dihydro-4-(1-iminoethyl)-1-isopropoxy-5h-2-pyrindin-3-ol

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(C)OC1=C2CCCC2=C(C(=O)N1)C(=N)C
InChI
InChI=1S/C13H18N2O2/c1-7(2)17-13-10-6-4-5-9(10)11(8(3)14)12(16)15-13/h7,14H,4-6H2,1-3H3,(H,15,16)
InChIKey
QGMMNTDQCBFPFG-UHFFFAOYSA-N
Compound name
4-ethanimidoyl-1-propan-2-yloxy-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

234.13683 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 153.6
[M+Na]+ 257.12605 163.2
[M+NH4]+ 252.17065 160.4
[M+K]+ 273.09999 160.2
[M-H]- 233.12955 153.9
[M+Na-2H]- 255.11150 156.0
[M]+ 234.13628 154.6
[M]- 234.13738 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.