CID 104455827

4-[2-(pyrrolidin-1-yl)ethoxy]cyclohexan-1-one

Structural Information

Molecular Formula
C12H21NO2
SMILES
C1CCN(C1)CCOC2CCC(=O)CC2
InChI
InChI=1S/C12H21NO2/c14-11-3-5-12(6-4-11)15-10-9-13-7-1-2-8-13/h12H,1-10H2
InChIKey
VCXKJKKZOOBWDB-UHFFFAOYSA-N
Compound name
4-(2-pyrrolidin-1-ylethoxy)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.16451 151.9
[M+Na]+ 234.14645 160.9
[M+NH4]+ 229.19105 160.1
[M+K]+ 250.12039 156.2
[M-H]- 210.14995 154.1
[M+Na-2H]- 232.13190 155.9
[M]+ 211.15668 153.5
[M]- 211.15778 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.