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

23
Patents

173.0688 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 134.5
[M+Na]+ 196.05802 142.0
[M-H]- 172.06152 136.0
[M+NH4]+ 191.10262 153.2
[M+K]+ 212.03196 142.8
[M+H-H2O]+ 156.06606 128.7
[M+HCOO]- 218.06700 155.3
[M+CH3COO]- 232.08265 174.3
[M+Na-2H]- 194.04347 139.0
[M]+ 173.06825 136.8
[M]- 173.06935 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