CID 50989145

3-(methoxycarbonyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H7NO5
SMILES
COC(=O)C1=NOC(C1)C(=O)O
InChI
InChI=1S/C6H7NO5/c1-11-6(10)3-2-4(5(8)9)12-7-3/h4H,2H2,1H3,(H,8,9)
InChIKey
MJNKHGCSKGJAAK-UHFFFAOYSA-N
Compound name
3-methoxycarbonyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.03242 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03970 131.2
[M+Na]+ 196.02164 139.0
[M-H]- 172.02514 133.1
[M+NH4]+ 191.06624 149.6
[M+K]+ 211.99558 140.5
[M+H-H2O]+ 156.02968 125.6
[M+HCOO]- 218.03062 151.7
[M+CH3COO]- 232.04627 173.6
[M+Na-2H]- 194.00709 135.1
[M]+ 173.03187 133.3
[M]- 173.03297 133.3
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

No patent data available for this compound.