CID 11007970

2-(dimethoxymethylidene)propanedinitrile

Structural Information

Molecular Formula
C6H6N2O2
SMILES
COC(=C(C#N)C#N)OC
InChI
InChI=1S/C6H6N2O2/c1-9-6(10-2)5(3-7)4-8/h1-2H3
InChIKey
XIHOVMBYUMTLNJ-UHFFFAOYSA-N
Compound name
2-(dimethoxymethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

138.04292 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 140.0
[M+Na]+ 161.03214 148.8
[M-H]- 137.03564 142.4
[M+NH4]+ 156.07674 154.3
[M+K]+ 177.00608 148.8
[M+H-H2O]+ 121.04018 125.8
[M+HCOO]- 183.04112 152.3
[M+CH3COO]- 197.05677 209.4
[M+Na-2H]- 159.01759 142.3
[M]+ 138.04237 133.4
[M]- 138.04347 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe