CID 126959610

5-ethyl-2-methyl-1-oxy-pyridin-4-ylamine

Structural Information

Molecular Formula
C8H13N2O
SMILES
CCC1=C(C=C([N+](=C1)O)C)N
InChI
InChI=1S/C8H12N2O/c1-3-7-5-10(11)6(2)4-8(7)9/h4-5,9,11H,3H2,1-2H3/p+1
InChIKey
XFDRDADRDFMBJL-UHFFFAOYSA-O
Compound name
5-ethyl-1-hydroxy-2-methylpyridin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.10278 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.110056 131.4
[M+Na]+ 176.091998 140.9
[M-H]- 152.095504 133.2
[M+NH4]+ 171.136603 150.7
[M+K]+ 192.065938 132.8
[M+H-H2O]+ 136.100040 128.5
[M+HCOO]- 198.100981 153.9
[M+CH3COO]- 212.116631 171.0
[M+Na-2H]- 174.077446 139.3
[M]+ 153.10223142 129.3
[M]- 153.10332858 129.3
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.