CID 86590090

Vzwzedreooxidd-uhfffaoysa-n

Structural Information

Molecular Formula
C7H9NO3
SMILES
COC(=O)C1COCC1C#N
InChI
InChI=1S/C7H9NO3/c1-10-7(9)6-4-11-3-5(6)2-8/h5-6H,3-4H2,1H3
InChIKey
VZWZEDREOOXIDD-UHFFFAOYSA-N
Compound name
methyl 4-cyanooxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

155.05824 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 132.1
[M+Na]+ 178.04746 141.1
[M+NH4]+ 173.09206 136.1
[M+K]+ 194.02140 135.8
[M-H]- 154.05096 126.0
[M+Na-2H]- 176.03291 132.7
[M]+ 155.05769 130.5
[M]- 155.05879 130.5
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