CID 58848

Nsc663978

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 172.9
[M+Na]+ 257.12605 180.1
[M+NH4]+ 252.17065 173.8
[M+K]+ 273.09999 169.3
[M-H]- 233.12955 163.1
[M+Na-2H]- 255.11150 171.1
[M]+ 234.13628 169.9
[M]- 234.13738 169.9
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.