CID 82394680

4-(3-methyl-1,2-oxazol-5-yl)oxane-4-carboxylic acid

Structural Information

Molecular Formula
C10H13NO4
SMILES
CC1=NOC(=C1)C2(CCOCC2)C(=O)O
InChI
InChI=1S/C10H13NO4/c1-7-6-8(15-11-7)10(9(12)13)2-4-14-5-3-10/h6H,2-5H2,1H3,(H,12,13)
InChIKey
MRIJLKQBVLPOCU-UHFFFAOYSA-N
Compound name
4-(3-methyl-1,2-oxazol-5-yl)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

211.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.091736 143.5
[M+Na]+ 234.073678 150.1
[M-H]- 210.077184 148.7
[M+NH4]+ 229.118283 160.8
[M+K]+ 250.047618 151.1
[M+H-H2O]+ 194.081720 137.6
[M+HCOO]- 256.082661 161.0
[M+CH3COO]- 270.098311 180.3
[M+Na-2H]- 232.059126 148.8
[M]+ 211.08391142 142.7
[M]- 211.08500858 142.7
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

patents stripe