CID 10678292

219910-53-9

Structural Information

Molecular Formula
C8H9NO
SMILES
CC(=O)C1=CC=CN1C=C
InChI
InChI=1S/C8H9NO/c1-3-9-6-4-5-8(9)7(2)10/h3-6H,1H2,2H3
InChIKey
YNMUTAWRENOPEA-UHFFFAOYSA-N
Compound name
1-(1-ethenylpyrrol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.06842 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 128.3
[M+Na]+ 158.05764 139.9
[M+NH4]+ 153.10224 136.3
[M+K]+ 174.03158 135.8
[M-H]- 134.06114 128.8
[M+Na-2H]- 156.04309 133.6
[M]+ 135.06787 129.8
[M]- 135.06897 129.8
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

No patent data available for this compound.