CID 62385927

3-(oxan-4-yl)-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1COCCC1C2=NOC(=C2)C(=O)O
InChI
InChI=1S/C9H11NO4/c11-9(12)8-5-7(10-14-8)6-1-3-13-4-2-6/h5-6H,1-4H2,(H,11,12)
InChIKey
LECGSRHBNQZYJJ-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.0688 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 139.8
[M+Na]+ 220.05802 145.8
[M-H]- 196.06152 144.8
[M+NH4]+ 215.10262 155.6
[M+K]+ 236.03196 146.8
[M+H-H2O]+ 180.06606 133.3
[M+HCOO]- 242.06700 157.7
[M+CH3COO]- 256.08265 177.7
[M+Na-2H]- 218.04347 144.3
[M]+ 197.06825 138.3
[M]- 197.06935 138.3
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