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 121.4
[M+Na]+ 146.05763 131.3
[M-H]- 122.06113 125.5
[M+NH4]+ 141.10223 142.2
[M+K]+ 162.03157 130.0
[M+H-H2O]+ 106.06567 110.5
[M+HCOO]- 168.06661 140.0
[M+CH3COO]- 182.08226 182.3
[M+Na-2H]- 144.04308 130.7
[M]+ 123.06786 115.5
[M]- 123.06896 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.