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

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 128.3
[M+Na]+ 178.04746 137.7
[M-H]- 154.05096 132.0
[M+NH4]+ 173.09206 147.6
[M+K]+ 194.02140 137.6
[M+H-H2O]+ 138.05550 116.6
[M+HCOO]- 200.05644 147.0
[M+CH3COO]- 214.07209 186.8
[M+Na-2H]- 176.03291 132.7
[M]+ 155.05769 124.2
[M]- 155.05879 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