CID 58848

(2,5-dimethyl-6-ethoxy-tetrahydro-2h-pyran-2-yl)methylenemalononitrile

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCOC1C(CCC(O1)(C)C=C(C#N)C#N)C
InChI
InChI=1S/C13H18N2O2/c1-4-16-12-10(2)5-6-13(3,17-12)7-11(8-14)9-15/h7,10,12H,4-6H2,1-3H3
InChIKey
IQUJVBXHKPNPIG-UHFFFAOYSA-N
Compound name
2-[(6-ethoxy-2,5-dimethyloxan-2-yl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 156.2
[M+Na]+ 257.126048 165.3
[M-H]- 233.129554 160.2
[M+NH4]+ 252.170653 168.8
[M+K]+ 273.099988 162.0
[M+H-H2O]+ 217.134090 142.0
[M+HCOO]- 279.135031 165.6
[M+CH3COO]- 293.150681 221.1
[M+Na-2H]- 255.111496 157.7
[M]+ 234.13628142 148.6
[M]- 234.13737858 148.6
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.