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]+ 235.14411 153.4
[M+Na]+ 257.12605 160.7
[M-H]- 233.12955 155.5
[M+NH4]+ 252.17065 172.1
[M+K]+ 273.09999 157.3
[M+H-H2O]+ 217.13409 147.3
[M+HCOO]- 279.13503 172.8
[M+CH3COO]- 293.15068 193.9
[M+Na-2H]- 255.11150 154.7
[M]+ 234.13628 152.1
[M]- 234.13738 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.