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]+ 124.075686 121.4
[M+Na]+ 146.057628 131.3
[M-H]- 122.061134 125.5
[M+NH4]+ 141.102233 142.2
[M+K]+ 162.031568 130.0
[M+H-H2O]+ 106.065670 110.5
[M+HCOO]- 168.066611 140.0
[M+CH3COO]- 182.082261 182.3
[M+Na-2H]- 144.043076 130.7
[M]+ 123.06786142 115.5
[M]- 123.06895858 115.5
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

No patent data available for this compound.