CID 2384473

4-formyl-1,5-dimethyl-1h-pyrrole-2-carbonitrile

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=C(C=C(N1C)C#N)C=O
InChI
InChI=1S/C8H8N2O/c1-6-7(5-11)3-8(4-9)10(6)2/h3,5H,1-2H3
InChIKey
PYZIGRRQXKNNIR-UHFFFAOYSA-N
Compound name
4-formyl-1,5-dimethylpyrrole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 127.4
[M+Na]+ 171.052878 139.6
[M-H]- 147.056384 130.1
[M+NH4]+ 166.097483 147.5
[M+K]+ 187.026818 137.3
[M+H-H2O]+ 131.060920 115.1
[M+HCOO]- 193.061861 148.3
[M+CH3COO]- 207.077511 189.5
[M+Na-2H]- 169.038326 131.7
[M]+ 148.06311142 124.6
[M]- 148.06420858 124.6
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.