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

10
Patents

211.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 143.5
[M+Na]+ 234.07368 150.1
[M-H]- 210.07718 148.7
[M+NH4]+ 229.11828 160.8
[M+K]+ 250.04762 151.1
[M+H-H2O]+ 194.08172 137.6
[M+HCOO]- 256.08266 161.0
[M+CH3COO]- 270.09831 180.3
[M+Na-2H]- 232.05913 148.8
[M]+ 211.08391 142.7
[M]- 211.08501 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