CID 167731866

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

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1(CCOC=C1)C#N
InChI
InChI=1S/C7H9NO/c1-7(6-8)2-4-9-5-3-7/h2,4H,3,5H2,1H3
InChIKey
ILGUWTVKCRXSBD-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydropyran-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.06841 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 125.4
[M+Na]+ 146.05763 137.2
[M+NH4]+ 141.10223 132.4
[M+K]+ 162.03157 126.7
[M-H]- 122.06113 121.6
[M+Na-2H]- 144.04308 130.7
[M]+ 123.06786 125.3
[M]- 123.06896 125.3
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

No patent data available for this compound.