CID 23643400

147008-07-9

Structural Information

Molecular Formula
C7H11NO4
SMILES
CCOC(=O)C1=NOC(C1)CO
InChI
InChI=1S/C7H11NO4/c1-2-11-7(10)6-3-5(4-9)12-8-6/h5,9H,2-4H2,1H3
InChIKey
ZODBNBXQEDHQND-UHFFFAOYSA-N
Compound name
ethyl 5-(hydroxymethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

173.0688 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.076076 134.5
[M+Na]+ 196.058018 142.0
[M-H]- 172.061524 136.0
[M+NH4]+ 191.102623 153.2
[M+K]+ 212.031958 142.8
[M+H-H2O]+ 156.066060 128.7
[M+HCOO]- 218.067001 155.3
[M+CH3COO]- 232.082651 174.3
[M+Na-2H]- 194.043466 139.0
[M]+ 173.06825142 136.8
[M]- 173.06934858 136.8
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

patents stripe