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 150.9
[M+Na]+ 234.14645 154.1
[M-H]- 210.14995 154.5
[M+NH4]+ 229.19105 169.4
[M+K]+ 250.12039 152.3
[M+H-H2O]+ 194.15449 143.2
[M+HCOO]- 256.15543 168.7
[M+CH3COO]- 270.17108 184.7
[M+Na-2H]- 232.13190 151.6
[M]+ 211.15668 145.8
[M]- 211.15778 145.8
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.