CID 266278

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

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC1=NC=C(C2=C1OC(OC2)(C)C)C(=O)O
InChI
InChI=1S/C11H13NO4/c1-6-9-8(5-15-11(2,3)16-9)7(4-12-6)10(13)14/h4H,5H2,1-3H3,(H,13,14)
InChIKey
QSONXALUWRRCGU-UHFFFAOYSA-N
Compound name
2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

223.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 146.3
[M+Na]+ 246.073678 155.6
[M-H]- 222.077184 150.1
[M+NH4]+ 241.118283 163.4
[M+K]+ 262.047618 156.2
[M+H-H2O]+ 206.081720 140.4
[M+HCOO]- 268.082661 162.5
[M+CH3COO]- 282.098311 187.4
[M+Na-2H]- 244.059126 153.9
[M]+ 223.08391142 148.8
[M]- 223.08500858 148.8
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

patents stripe