CID 2396352

3-(4-acetyl-3,5-dimethyl-1h-pyrrol-2-yl)-3-oxopropanenitrile

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=C(NC(=C1C(=O)C)C)C(=O)CC#N
InChI
InChI=1S/C11H12N2O2/c1-6-10(8(3)14)7(2)13-11(6)9(15)4-5-12/h13H,4H2,1-3H3
InChIKey
LPPFGQJSMHXOMT-UHFFFAOYSA-N
Compound name
3-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 144.0
[M+Na]+ 227.07909 153.7
[M+NH4]+ 222.12369 146.8
[M+K]+ 243.05303 148.1
[M-H]- 203.08259 135.9
[M+Na-2H]- 225.06454 144.5
[M]+ 204.08932 141.9
[M]- 204.09042 141.9
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.