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

41
Patents

111.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 117.7
[M+Na]+ 134.05763 126.0
[M-H]- 110.06113 121.2
[M+NH4]+ 129.10223 137.0
[M+K]+ 150.03157 125.4
[M+H-H2O]+ 94.065670 106.2
[M+HCOO]- 156.06661 135.3
[M+CH3COO]- 170.08226 180.3
[M+Na-2H]- 132.04308 125.7
[M]+ 111.06786 109.9
[M]- 111.06896 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