CID 70939

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

Structural Information

Molecular Formula
C6H7NO
SMILES
C1CC(OC=C1)C#N
InChI
InChI=1S/C6H7NO/c7-5-6-3-1-2-4-8-6/h2,4,6H,1,3H2
InChIKey
AXXRLGNIHOZMRX-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

109.052765 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 117.1
[M+Na]+ 132.04198 126.2
[M-H]- 108.04549 120.8
[M+NH4]+ 127.08659 136.4
[M+K]+ 148.01592 125.5
[M+H-H2O]+ 92.050025 105.5
[M+HCOO]- 154.05097 135.9
[M+CH3COO]- 168.06662 179.9
[M+Na-2H]- 130.02743 125.8
[M]+ 109.05222 110.5
[M]- 109.05331 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