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]+ 208.096816 142.2
[M+Na]+ 230.078758 152.4
[M-H]- 206.082264 147.3
[M+NH4]+ 225.123363 160.8
[M+K]+ 246.052698 152.8
[M+H-H2O]+ 190.086800 136.0
[M+HCOO]- 252.087741 160.8
[M+CH3COO]- 266.103391 186.7
[M+Na-2H]- 228.064206 151.3
[M]+ 207.08899142 145.7
[M]- 207.09008858 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

literature stripe

Patent stripe

patents stripe