CID 135959526

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

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CCOC1=C2CCCC2=C(C(=O)N1)C(=N)C
InChI
InChI=1S/C12H16N2O2/c1-3-16-12-9-6-4-5-8(9)10(7(2)13)11(15)14-12/h13H,3-6H2,1-2H3,(H,14,15)
InChIKey
BTZYJLLXBIZQNS-UHFFFAOYSA-N
Compound name
4-ethanimidoyl-1-ethoxy-2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 148.5
[M+Na]+ 243.11041 156.5
[M-H]- 219.11391 150.6
[M+NH4]+ 238.15501 167.8
[M+K]+ 259.08435 152.8
[M+H-H2O]+ 203.11845 142.3
[M+HCOO]- 265.11939 169.2
[M+CH3COO]- 279.13504 189.9
[M+Na-2H]- 241.09586 151.5
[M]+ 220.12064 147.5
[M]- 220.12174 147.5
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.