CID 12273696

3,4-dihydro-2h-pyran-6-carbonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
C1CC=C(OC1)C#N
InChI
InChI=1S/C6H7NO/c7-5-6-3-1-2-4-8-6/h3H,1-2,4H2
InChIKey
DPQCEBXGFGVSAB-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyran-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

109.052765 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.060041 117.1
[M+Na]+ 132.041983 126.2
[M-H]- 108.045489 120.8
[M+NH4]+ 127.086588 136.4
[M+K]+ 148.015923 125.5
[M+H-H2O]+ 92.050025 105.5
[M+HCOO]- 154.050966 135.9
[M+CH3COO]- 168.066616 179.9
[M+Na-2H]- 130.027431 125.8
[M]+ 109.05221642 110.5
[M]- 109.05331358 110.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe