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

14
Patents

111.06841 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 121.2
[M+Na]+ 134.05763 128.7
[M-H]- 110.06113 123.4
[M+NH4]+ 129.10223 144.2
[M+K]+ 150.03157 128.5
[M+H-H2O]+ 94.065670 115.4
[M+HCOO]- 156.06661 144.1
[M+CH3COO]- 170.08226 167.4
[M+Na-2H]- 132.04308 126.4
[M]+ 111.06786 119.8
[M]- 111.06896 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

No literature data available for this compound.

Patent stripe

patents stripe