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]+ 136.075696 126.2
[M+Na]+ 158.057638 135.3
[M-H]- 134.061144 128.9
[M+NH4]+ 153.102243 148.7
[M+K]+ 174.031578 133.7
[M+H-H2O]+ 118.065680 120.6
[M+HCOO]- 180.066621 150.2
[M+CH3COO]- 194.082271 173.2
[M+Na-2H]- 156.043086 130.8
[M]+ 135.06787142 126.8
[M]- 135.06896858 126.8
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.