CID 3056772

Pyridoxal-monoaethylacetal hydrochlorid [german]

Structural Information

Molecular Formula
C10H11NO3
SMILES
CCOC1=C2C(=CO1)C=NC(=C2O)C
InChI
InChI=1S/C10H11NO3/c1-3-13-10-8-7(5-14-10)4-11-6(2)9(8)12/h4-5,12H,3H2,1-2H3
InChIKey
RIXDCWNXEMGDLS-UHFFFAOYSA-N
Compound name
1-ethoxy-6-methylfuro[3,4-c]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 137.2
[M+Na]+ 216.063118 148.9
[M-H]- 192.066624 141.1
[M+NH4]+ 211.107723 157.2
[M+K]+ 232.037058 147.5
[M+H-H2O]+ 176.071160 131.6
[M+HCOO]- 238.072101 160.5
[M+CH3COO]- 252.087751 181.1
[M+Na-2H]- 214.048566 144.8
[M]+ 193.07335142 143.3
[M]- 193.07444858 143.3
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.