CID 45263

63917-12-4

Structural Information

Molecular Formula
C8H10N2O
SMILES
CCOCCC=C(C#N)C#N
InChI
InChI=1S/C8H10N2O/c1-2-11-5-3-4-8(6-9)7-10/h4H,2-3,5H2,1H3
InChIKey
JMFNOHLRDCIMAU-UHFFFAOYSA-N
Compound name
2-(3-ethoxypropylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

150.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 159.8
[M+Na]+ 173.06854 167.0
[M+NH4]+ 168.11314 160.1
[M+K]+ 189.04248 157.1
[M-H]- 149.07204 148.4
[M+Na-2H]- 171.05399 157.7
[M]+ 150.07877 156.2
[M]- 150.07987 156.2
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

patents stripe