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]+ 174.039696 131.2
[M+Na]+ 196.021638 139.0
[M-H]- 172.025144 133.1
[M+NH4]+ 191.066243 149.6
[M+K]+ 211.995578 140.5
[M+H-H2O]+ 156.029680 125.6
[M+HCOO]- 218.030621 151.7
[M+CH3COO]- 232.046271 173.6
[M+Na-2H]- 194.007086 135.1
[M]+ 173.03187142 133.3
[M]- 173.03296858 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.