CID 45085486

84677-03-2

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=CN(C(=C1)C(=O)C)C
InChI
InChI=1S/C8H11NO/c1-6-4-8(7(2)10)9(3)5-6/h4-5H,1-3H3
InChIKey
CQODNAJXGMMTQK-UHFFFAOYSA-N
Compound name
1-(1,4-dimethylpyrrol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

137.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 128.4
[M+Na]+ 160.07328 140.3
[M+NH4]+ 155.11788 136.7
[M+K]+ 176.04722 136.6
[M-H]- 136.07678 129.2
[M+Na-2H]- 158.05873 133.7
[M]+ 137.08351 130.2
[M]- 137.08461 130.2
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