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]+ 235.14411 156.2
[M+Na]+ 257.12605 165.3
[M-H]- 233.12955 160.2
[M+NH4]+ 252.17065 168.8
[M+K]+ 273.09999 162.0
[M+H-H2O]+ 217.13409 142.0
[M+HCOO]- 279.13503 165.6
[M+CH3COO]- 293.15068 221.1
[M+Na-2H]- 255.11150 157.7
[M]+ 234.13628 148.6
[M]- 234.13738 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.