CID 103675

3-methoxyallylidenemalonitrile

Structural Information

Molecular Formula
C7H6N2O
SMILES
COC=CC=C(C#N)C#N
InChI
InChI=1S/C7H6N2O/c1-10-4-2-3-7(5-8)6-9/h2-4H,1H3
InChIKey
MALUIHGUZRXIGV-UHFFFAOYSA-N
Compound name
2-(3-methoxyprop-2-enylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

134.04802 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 157.6
[M+Na]+ 157.03724 164.9
[M+NH4]+ 152.08184 157.8
[M+K]+ 173.01118 155.1
[M-H]- 133.04074 146.1
[M+Na-2H]- 155.02269 155.5
[M]+ 134.04747 154.0
[M]- 134.04857 154.0
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