CID 130392

Butanedinitrile, ((4-methoxyphenyl)methylene)methylene-, (z)-

Structural Information

Molecular Formula
C13H10N2O
SMILES
COC1=CC=C(C=C1)C=C=C(CC#N)C#N
InChI
InChI=1S/C13H10N2O/c1-16-13-6-4-11(5-7-13)2-3-12(10-15)8-9-14/h2,4-7H,8H2,1H3
InChIKey
JJOYNCBCVLMZSU-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 160.9
[M+Na]+ 233.06854 170.5
[M-H]- 209.07204 164.2
[M+NH4]+ 228.11314 173.3
[M+K]+ 249.04248 165.8
[M+H-H2O]+ 193.07658 145.6
[M+HCOO]- 255.07752 173.2
[M+CH3COO]- 269.09317 217.7
[M+Na-2H]- 231.05399 162.1
[M]+ 210.07877 153.2
[M]- 210.07987 153.2
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

No patent data available for this compound.