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]+ 189.10224 151.2
[M+Na]+ 211.08418 161.0
[M-H]- 187.08768 155.2
[M+NH4]+ 206.12878 164.8
[M+K]+ 227.05812 157.3
[M+H-H2O]+ 171.09222 136.9
[M+HCOO]- 233.09316 161.7
[M+CH3COO]- 247.10881 215.0
[M+Na-2H]- 209.06963 153.9
[M]+ 188.09441 142.7
[M]- 188.09551 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.