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
6
Annotation Hits

0
References

284
Patents

123.06841 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 124.6
[M+Na]+ 146.057628 132.4
[M-H]- 122.061134 125.6
[M+NH4]+ 141.102233 146.6
[M+K]+ 162.031568 130.7
[M+H-H2O]+ 106.065670 118.9
[M+HCOO]- 168.066611 147.2
[M+CH3COO]- 182.082261 167.3
[M+Na-2H]- 144.043076 129.8
[M]+ 123.06786142 123.2
[M]- 123.06895858 123.2
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

patents stripe