CID 58846

(3,4-dihydro-2,5-dimethyl-2h-pyran-2-yl)methylenemalononitrile

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=COC(CC1)(C)C=C(C#N)C#N
InChI
InChI=1S/C11H12N2O/c1-9-3-4-11(2,14-8-9)5-10(6-12)7-13/h5,8H,3-4H2,1-2H3
InChIKey
LYZBGHYQNCVQIB-UHFFFAOYSA-N
Compound name
2-[(2,5-dimethyl-3,4-dihydropyran-2-yl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 151.2
[M+Na]+ 211.084178 161.0
[M-H]- 187.087684 155.2
[M+NH4]+ 206.128783 164.8
[M+K]+ 227.058118 157.3
[M+H-H2O]+ 171.092220 136.9
[M+HCOO]- 233.093161 161.7
[M+CH3COO]- 247.108811 215.0
[M+Na-2H]- 209.069626 153.9
[M]+ 188.09441142 142.7
[M]- 188.09550858 142.7
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.