CID 15619946

2,2,8-trimethyl-4h-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC1=NC=C(C2=C1OC(OC2)(C)C)C=O
InChI
InChI=1S/C11H13NO3/c1-7-10-9(8(5-13)4-12-7)6-14-11(2,3)15-10/h4-5H,6H2,1-3H3
InChIKey
PECKJUIKFHWAGE-UHFFFAOYSA-N
Compound name
2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

207.08954 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 142.2
[M+Na]+ 230.07876 152.4
[M-H]- 206.08226 147.3
[M+NH4]+ 225.12336 160.8
[M+K]+ 246.05270 152.8
[M+H-H2O]+ 190.08680 136.0
[M+HCOO]- 252.08774 160.8
[M+CH3COO]- 266.10339 186.7
[M+Na-2H]- 228.06421 151.3
[M]+ 207.08899 145.7
[M]- 207.09009 145.7
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.