CID 55926

2,5,6,7,8,9-hexahydro-2-ethyl-3-hydroxy-4-(1-iminoethyl)-1h-cyclohepta(c)pyridin-1-one

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCN1C(=C2CCCCCC2=C(C1=O)C(=N)C)O
InChI
InChI=1S/C14H20N2O2/c1-3-16-13(17)11-8-6-4-5-7-10(11)12(9(2)15)14(16)18/h15,17H,3-8H2,1-2H3
InChIKey
HWMQUYSFCXZMIB-UHFFFAOYSA-N
Compound name
4-ethanimidoyl-2-ethyl-1-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 153.7
[M+Na]+ 271.14170 159.6
[M-H]- 247.14520 157.0
[M+NH4]+ 266.18630 169.4
[M+K]+ 287.11564 160.7
[M+H-H2O]+ 231.14974 147.7
[M+HCOO]- 293.15068 171.2
[M+CH3COO]- 307.16633 198.5
[M+Na-2H]- 269.12715 156.4
[M]+ 248.15193 148.9
[M]- 248.15303 148.9
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.