CID 86590090

Methyl 4-cyanooxolane-3-carboxylate

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

19
Patents

155.05824 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 128.3
[M+Na]+ 178.047458 137.7
[M-H]- 154.050964 132.0
[M+NH4]+ 173.092063 147.6
[M+K]+ 194.021398 137.6
[M+H-H2O]+ 138.055500 116.6
[M+HCOO]- 200.056441 147.0
[M+CH3COO]- 214.072091 186.8
[M+Na-2H]- 176.032906 132.7
[M]+ 155.05769142 124.2
[M]- 155.05878858 124.2
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