CID 79843

5780-34-7

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1COC2N1CCO2
InChI
InChI=1S/C5H9NO2/c1-3-7-5-6(1)2-4-8-5/h5H,1-4H2
InChIKey
LTMRLZSHHUFQDP-UHFFFAOYSA-N
Compound name
3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

271
Patents

115.06333 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 119.4
[M+Na]+ 138.052548 126.7
[M-H]- 114.056054 123.3
[M+NH4]+ 133.097153 142.3
[M+K]+ 154.026488 129.0
[M+H-H2O]+ 98.060590 114.8
[M+HCOO]- 160.061531 139.5
[M+CH3COO]- 174.077181 134.0
[M+Na-2H]- 136.037996 126.4
[M]+ 115.06278142 118.4
[M]- 115.06387858 118.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe