CID 137698639

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

Structural Information

Molecular Formula
C8H9NO4
SMILES
C1CC(OC1)C2=NOC=C2C(=O)O
InChI
InChI=1S/C8H9NO4/c10-8(11)5-4-13-9-7(5)6-2-1-3-12-6/h4,6H,1-3H2,(H,10,11)
InChIKey
HHLUUXDUIMTVQV-UHFFFAOYSA-N
Compound name
3-(oxolan-2-yl)-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05316 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 135.3
[M+Na]+ 206.04238 142.5
[M-H]- 182.04588 140.8
[M+NH4]+ 201.08698 153.5
[M+K]+ 222.01632 143.8
[M+H-H2O]+ 166.05042 129.9
[M+HCOO]- 228.05136 155.6
[M+CH3COO]- 242.06701 174.7
[M+Na-2H]- 204.02783 138.9
[M]+ 183.05261 135.6
[M]- 183.05371 135.6
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

No patent data available for this compound.