CID 56829049

89464-26-6

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC(COC1)C#N
InChI
InChI=1S/C6H9NO/c7-4-6-2-1-3-8-5-6/h6H,1-3,5H2
InChIKey
LNJVMGVIXGCIEY-UHFFFAOYSA-N
Compound name
oxane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

111.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 117.7
[M+Na]+ 134.057628 126.0
[M-H]- 110.061134 121.2
[M+NH4]+ 129.102233 137.0
[M+K]+ 150.031568 125.4
[M+H-H2O]+ 94.065670 106.2
[M+HCOO]- 156.066611 135.3
[M+CH3COO]- 170.082261 180.3
[M+Na-2H]- 132.043076 125.7
[M]+ 111.06786142 109.9
[M]- 111.06895858 109.9
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