CID 218993

41457-18-5

Structural Information

Molecular Formula
C19H31NO2
SMILES
CC1(CCC(N1CC(COCCC2=CC=CC=C2)O)(C)C)C
InChI
InChI=1S/C19H31NO2/c1-18(2)11-12-19(3,4)20(18)14-17(21)15-22-13-10-16-8-6-5-7-9-16/h5-9,17,21H,10-15H2,1-4H3
InChIKey
KMIRUPWDNWYLKH-UHFFFAOYSA-N
Compound name
1-(2-phenylethoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.23547 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.24275 175.6
[M+Na]+ 328.22469 180.9
[M-H]- 304.22819 179.0
[M+NH4]+ 323.26929 194.4
[M+K]+ 344.19863 177.5
[M+H-H2O]+ 288.23273 169.0
[M+HCOO]- 350.23367 192.9
[M+CH3COO]- 364.24932 203.9
[M+Na-2H]- 326.21014 176.0
[M]+ 305.23492 176.8
[M]- 305.23602 176.8
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

patents stripe