CID 16227229

900136-98-3

Structural Information

Molecular Formula
C9H8N2O3
SMILES
CC1=CC(=C2C(=NOC2=N1)C)C(=O)O
InChI
InChI=1S/C9H8N2O3/c1-4-3-6(9(12)13)7-5(2)11-14-8(7)10-4/h3H,1-2H3,(H,12,13)
InChIKey
FSGQUBXBQDIYBH-UHFFFAOYSA-N
Compound name
3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

192.0535 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 136.6
[M+Na]+ 215.042718 148.8
[M-H]- 191.046224 139.4
[M+NH4]+ 210.087323 155.1
[M+K]+ 231.016658 147.3
[M+H-H2O]+ 175.050760 130.5
[M+HCOO]- 237.051701 158.1
[M+CH3COO]- 251.067351 181.0
[M+Na-2H]- 213.028166 143.3
[M]+ 192.05295142 141.5
[M]- 192.05404858 141.5
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