CID 218991

41457-17-4

Structural Information

Molecular Formula
C18H29NO2
SMILES
CC1(CCC(N1CC(COCC2=CC=CC=C2)O)(C)C)C
InChI
InChI=1S/C18H29NO2/c1-17(2)10-11-18(3,4)19(17)12-16(20)14-21-13-15-8-6-5-7-9-15/h5-9,16,20H,10-14H2,1-4H3
InChIKey
TWCRXASXWYRQDW-UHFFFAOYSA-N
Compound name
1-phenylmethoxy-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

291.21982 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 171.1
[M+Na]+ 314.20904 176.9
[M-H]- 290.21254 174.8
[M+NH4]+ 309.25364 190.5
[M+K]+ 330.18298 173.8
[M+H-H2O]+ 274.21708 164.8
[M+HCOO]- 336.21802 188.8
[M+CH3COO]- 350.23367 201.0
[M+Na-2H]- 312.19449 172.1
[M]+ 291.21927 172.0
[M]- 291.22037 172.0
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.