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 126.2
[M+Na]+ 158.05764 135.3
[M-H]- 134.06114 128.9
[M+NH4]+ 153.10224 148.7
[M+K]+ 174.03158 133.7
[M+H-H2O]+ 118.06568 120.6
[M+HCOO]- 180.06662 150.2
[M+CH3COO]- 194.08227 173.2
[M+Na-2H]- 156.04309 130.8
[M]+ 135.06787 126.8
[M]- 135.06897 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.