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

4
Patents

223.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 146.3
[M+Na]+ 246.07368 155.6
[M-H]- 222.07718 150.1
[M+NH4]+ 241.11828 163.4
[M+K]+ 262.04762 156.2
[M+H-H2O]+ 206.08172 140.4
[M+HCOO]- 268.08266 162.5
[M+CH3COO]- 282.09831 187.4
[M+Na-2H]- 244.05913 153.9
[M]+ 223.08391 148.8
[M]- 223.08501 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