CID 2095680

744227-04-1

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC1=CC(=C(N1C2CC2)C)C(=O)CCl
InChI
InChI=1S/C11H14ClNO/c1-7-5-10(11(14)6-12)8(2)13(7)9-3-4-9/h5,9H,3-4,6H2,1-2H3
InChIKey
VDOWBQXUDGEQHE-UHFFFAOYSA-N
Compound name
2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 144.1
[M+Na]+ 234.06561 158.1
[M+NH4]+ 229.11021 153.1
[M+K]+ 250.03955 154.6
[M-H]- 210.06911 153.0
[M+Na-2H]- 232.05106 152.2
[M]+ 211.07584 149.9
[M]- 211.07694 149.9
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

No patent data available for this compound.