CID 16726727

Methyl 4-cyanotetrahydro-2h-pyran-4-carboxylate

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

COC(=O)C1(CCOCC1)C#N

InChI

InChI=1S/C8H11NO3/c1-11-7(10)8(6-9)2-4-12-5-3-8/h2-5H2,1H3

InChIKey

ZOCVBMSJKWEGQO-UHFFFAOYSA-N

Compound name

methyl 4-cyanooxane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 169.0739 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.08118	136.5
[M+Na]+	192.06312	146.1
[M+NH4]+	187.10772	141.9
[M+K]+	208.03706	137.1
[M-H]-	168.06662	131.1
[M+Na-2H]-	190.04857	139.4
[M]+	169.07335	135.4
[M]-	169.07445	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe