CID 61988

2-acetyl-1-ethylpyrrole

Structural Information

Molecular Formula
C8H11NO
SMILES
CCN1C=CC=C1C(=O)C
InChI
InChI=1S/C8H11NO/c1-3-9-6-4-5-8(9)7(2)10/h4-6H,3H2,1-2H3
InChIKey
HQADRFRTIALOCB-UHFFFAOYSA-N
Compound name
1-(1-ethylpyrrol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

83
Patents

137.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.6
[M+Na]+ 160.073278 136.3
[M-H]- 136.076784 130.2
[M+NH4]+ 155.117883 150.1
[M+K]+ 176.047218 135.3
[M+H-H2O]+ 120.081320 121.8
[M+HCOO]- 182.082261 151.4
[M+CH3COO]- 196.097911 174.2
[M+Na-2H]- 158.058726 132.1
[M]+ 137.08351142 128.8
[M]- 137.08460858 128.8
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