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]+ 194.08118 137.2
[M+Na]+ 216.06312 148.9
[M-H]- 192.06662 141.1
[M+NH4]+ 211.10772 157.2
[M+K]+ 232.03706 147.5
[M+H-H2O]+ 176.07116 131.6
[M+HCOO]- 238.07210 160.5
[M+CH3COO]- 252.08775 181.1
[M+Na-2H]- 214.04857 144.8
[M]+ 193.07335 143.3
[M]- 193.07445 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.