CID 4131261

2-(2,2-dicyanovinyl)-3,4,5-trimethylpyrrole

Structural Information

Molecular Formula
C11H11N3
SMILES
CC1=C(NC(=C1C)C=C(C#N)C#N)C
InChI
InChI=1S/C11H11N3/c1-7-8(2)11(14-9(7)3)4-10(5-12)6-13/h4,14H,1-3H3
InChIKey
VRFLMOWAOIAOOR-UHFFFAOYSA-N
Compound name
2-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.09529 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.102566 154.3
[M+Na]+ 208.084508 164.3
[M-H]- 184.088014 156.1
[M+NH4]+ 203.129113 167.3
[M+K]+ 224.058448 160.5
[M+H-H2O]+ 168.092550 138.7
[M+HCOO]- 230.093491 165.1
[M+CH3COO]- 244.109141 215.0
[M+Na-2H]- 206.069956 153.6
[M]+ 185.09474142 145.6
[M]- 185.09583858 145.6
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

No patent data available for this compound.