CID 71333816

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

Structural Information

Molecular Formula
C6H7NO
SMILES
C1COCC=C1C#N
InChI
InChI=1S/C6H7NO/c7-5-6-1-3-8-4-2-6/h1H,2-4H2
InChIKey
MICNNRIXWURVND-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-pyran-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

109.052765 Da
Monoisotopic Mass

0.2
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

No literature data available for this compound.

Patent stripe

patents stripe