CID 3061733

1-(1-((1-ethynylcyclohexyl)oxy)-2-(2-methylpropoxy)ethyl)pyrrolidine

Structural Information

Molecular Formula
C19H33NO2
SMILES
CC(C)COCC(COC1(CCCCC1)C#C)N2CCCC2
InChI
InChI=1S/C19H33NO2/c1-4-19(10-6-5-7-11-19)22-16-18(15-21-14-17(2)3)20-12-8-9-13-20/h1,17-18H,5-16H2,2-3H3
InChIKey
RVXKHDFKTKLNPY-UHFFFAOYSA-N
Compound name
1-[1-(1-ethynylcyclohexyl)oxy-3-(2-methylpropoxy)propan-2-yl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.25113 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.25841 175.7
[M+Na]+ 330.24035 179.5
[M-H]- 306.24385 176.7
[M+NH4]+ 325.28495 190.1
[M+K]+ 346.21429 173.7
[M+H-H2O]+ 290.24839 161.8
[M+HCOO]- 352.24933 184.4
[M+CH3COO]- 366.26498 210.5
[M+Na-2H]- 328.22580 172.4
[M]+ 307.25058 166.9
[M]- 307.25168 166.9
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.