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

0
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]+ 235.144106 153.4
[M+Na]+ 257.126048 160.7
[M-H]- 233.129554 155.5
[M+NH4]+ 252.170653 172.1
[M+K]+ 273.099988 157.3
[M+H-H2O]+ 217.134090 147.3
[M+HCOO]- 279.135031 172.8
[M+CH3COO]- 293.150681 193.9
[M+Na-2H]- 255.111496 154.7
[M]+ 234.13628142 152.1
[M]- 234.13737858 152.1
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.