CID 3085156

Tamitinol

Structural Information

Molecular Formula
C11H18N2OS
SMILES
CCNCC1=C(C(=NC=C1CSC)C)O
InChI
InChI=1S/C11H18N2OS/c1-4-12-6-10-9(7-15-3)5-13-8(2)11(10)14/h5,12,14H,4,6-7H2,1-3H3
InChIKey
VGWRNXUFWFDSCH-UHFFFAOYSA-N
Compound name
4-(ethylaminomethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

65
Patents

226.11398 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12126 149.9
[M+Na]+ 249.10320 158.0
[M-H]- 225.10670 151.3
[M+NH4]+ 244.14780 167.2
[M+K]+ 265.07714 153.8
[M+H-H2O]+ 209.11124 143.3
[M+HCOO]- 271.11218 166.9
[M+CH3COO]- 285.12783 191.5
[M+Na-2H]- 247.08865 151.7
[M]+ 226.11343 153.1
[M]- 226.11453 153.1
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.