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
3
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]+ 135.055296 141.3
[M+Na]+ 157.037238 150.4
[M-H]- 133.040744 143.7
[M+NH4]+ 152.081843 155.8
[M+K]+ 173.011178 149.0
[M+H-H2O]+ 117.045280 127.2
[M+HCOO]- 179.046221 154.1
[M+CH3COO]- 193.061871 208.5
[M+Na-2H]- 155.022686 144.1
[M]+ 134.04747142 134.0
[M]- 134.04856858 134.0
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