CID 18090

2972-78-3

Structural Information

Molecular Formula
C12H10N2O2
SMILES
COC1=CC(=C(C=C1)C=C(C#N)C#N)OC
InChI
InChI=1S/C12H10N2O2/c1-15-11-4-3-10(12(6-11)16-2)5-9(7-13)8-14/h3-6H,1-2H3
InChIKey
VNSYEOGIEARFNL-UHFFFAOYSA-N
Compound name
2-[(2,4-dimethoxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

214.07423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 157.4
[M+Na]+ 237.06345 167.4
[M-H]- 213.06695 161.1
[M+NH4]+ 232.10805 169.9
[M+K]+ 253.03739 164.1
[M+H-H2O]+ 197.07149 142.4
[M+HCOO]- 259.07243 170.0
[M+CH3COO]- 273.08808 218.8
[M+Na-2H]- 235.04890 158.8
[M]+ 214.07368 151.2
[M]- 214.07478 151.2
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