CID 12273696

31518-13-5

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

9
Patents

109.052765 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 123.6
[M+Na]+ 132.04198 135.4
[M+NH4]+ 127.08659 129.5
[M+K]+ 148.01592 126.4
[M-H]- 108.04549 119.8
[M+Na-2H]- 130.02743 127.5
[M]+ 109.05222 123.3
[M]- 109.05331 123.3
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

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