CID 145867149

2361821-59-0

Structural Information

Molecular Formula
C8H9NO4
SMILES
COC1=NOC(=C1C(=O)O)C2CC2
InChI
InChI=1S/C8H9NO4/c1-12-7-5(8(10)11)6(13-9-7)4-2-3-4/h4H,2-3H2,1H3,(H,10,11)
InChIKey
CXEYLHLVRMCDDY-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-methoxy-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

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 136.4
[M+Na]+ 206.04238 147.3
[M-H]- 182.04588 142.8
[M+NH4]+ 201.08698 150.2
[M+K]+ 222.01632 145.8
[M+H-H2O]+ 166.05042 130.2
[M+HCOO]- 228.05136 158.4
[M+CH3COO]- 242.06701 180.9
[M+Na-2H]- 204.02783 141.0
[M]+ 183.05261 142.2
[M]- 183.05371 142.2
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.