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]+ 186.10257 154.3
[M+Na]+ 208.08451 164.3
[M-H]- 184.08801 156.1
[M+NH4]+ 203.12911 167.3
[M+K]+ 224.05845 160.5
[M+H-H2O]+ 168.09255 138.7
[M+HCOO]- 230.09349 165.1
[M+CH3COO]- 244.10914 215.0
[M+Na-2H]- 206.06996 153.6
[M]+ 185.09474 145.6
[M]- 185.09584 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.