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]+ 149.07094 127.4
[M+Na]+ 171.05288 139.6
[M-H]- 147.05638 130.1
[M+NH4]+ 166.09748 147.5
[M+K]+ 187.02682 137.3
[M+H-H2O]+ 131.06092 115.1
[M+HCOO]- 193.06186 148.3
[M+CH3COO]- 207.07751 189.5
[M+Na-2H]- 169.03833 131.7
[M]+ 148.06311 124.6
[M]- 148.06421 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.