CID 15801179

Dtxsid50869341

Structural Information

Molecular Formula
C6H9NO
SMILES
CC(=O)C1CCC=N1
InChI
InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h4,6H,2-3H2,1H3
InChIKey
HPPBLSRFMVHCME-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-pyrrol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

111.06841 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 121.2
[M+Na]+ 134.057628 128.7
[M-H]- 110.061134 123.4
[M+NH4]+ 129.102233 144.2
[M+K]+ 150.031568 128.5
[M+H-H2O]+ 94.065670 115.4
[M+HCOO]- 156.066611 144.1
[M+CH3COO]- 170.082261 167.4
[M+Na-2H]- 132.043076 126.4
[M]+ 111.06786142 119.8
[M]- 111.06895858 119.8
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