CID 61260

2-propionylpyrrole

Structural Information

Molecular Formula
C7H9NO
SMILES
CCC(=O)C1=CC=CN1
InChI
InChI=1S/C7H9NO/c1-2-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3
InChIKey
AEJPPSRYXGEVDT-UHFFFAOYSA-N
Compound name
1-(1H-pyrrol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

272
Patents

123.06841 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 125.4
[M+Na]+ 146.05763 136.1
[M+NH4]+ 141.10223 133.4
[M+K]+ 162.03157 132.5
[M-H]- 122.06113 125.5
[M+Na-2H]- 144.04308 130.7
[M]+ 123.06786 126.7
[M]- 123.06896 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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