CID 55922

5,6,7,8-tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2h)-one

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC(=N)C1=C2CCCCC2=C(N(C1=O)C)O
InChI
InChI=1S/C12H16N2O2/c1-7(13)10-8-5-3-4-6-9(8)11(15)14(2)12(10)16/h13,15H,3-6H2,1-2H3
InChIKey
XRLRNIATRWAXAR-UHFFFAOYSA-N
Compound name
4-ethanimidoyl-1-hydroxy-2-methyl-5,6,7,8-tetrahydroisoquinolin-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 148.4
[M+Na]+ 243.11041 160.1
[M+NH4]+ 238.15501 155.8
[M+K]+ 259.08435 154.6
[M-H]- 219.11391 149.9
[M+Na-2H]- 241.09586 152.3
[M]+ 220.12064 150.2
[M]- 220.12174 150.2
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.