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]+ 154.11006 131.4
[M+Na]+ 176.09200 140.9
[M-H]- 152.09550 133.2
[M+NH4]+ 171.13660 150.7
[M+K]+ 192.06594 132.8
[M+H-H2O]+ 136.10004 128.5
[M+HCOO]- 198.10098 153.9
[M+CH3COO]- 212.11663 171.0
[M+Na-2H]- 174.07745 139.3
[M]+ 153.10223 129.3
[M]- 153.10333 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.