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]+ 184.060436 136.4
[M+Na]+ 206.042378 147.3
[M-H]- 182.045884 142.8
[M+NH4]+ 201.086983 150.2
[M+K]+ 222.016318 145.8
[M+H-H2O]+ 166.050420 130.2
[M+HCOO]- 228.051361 158.4
[M+CH3COO]- 242.067011 180.9
[M+Na-2H]- 204.027826 141.0
[M]+ 183.05261142 142.2
[M]- 183.05370858 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.