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]+ 308.258406 175.7
[M+Na]+ 330.240348 179.5
[M-H]- 306.243854 176.7
[M+NH4]+ 325.284953 190.1
[M+K]+ 346.214288 173.7
[M+H-H2O]+ 290.248390 161.8
[M+HCOO]- 352.249331 184.4
[M+CH3COO]- 366.264981 210.5
[M+Na-2H]- 328.225796 172.4
[M]+ 307.25058142 166.9
[M]- 307.25167858 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.