CID 212077

Lotucaine

Structural Information

Molecular Formula
C18H29NO2
SMILES
CC1=CC=CC=C1OCC(CN2C(CCC2(C)C)(C)C)O
InChI
InChI=1S/C18H29NO2/c1-14-8-6-7-9-16(14)21-13-15(20)12-19-17(2,3)10-11-18(19,4)5/h6-9,15,20H,10-13H2,1-5H3
InChIKey
ALJMIOMYHUNJQX-UHFFFAOYSA-N
Compound name
1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

161
Patents

291.21982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.227096 169.8
[M+Na]+ 314.209038 176.6
[M-H]- 290.212544 173.9
[M+NH4]+ 309.253643 189.6
[M+K]+ 330.182978 173.5
[M+H-H2O]+ 274.217080 163.9
[M+HCOO]- 336.218021 187.5
[M+CH3COO]- 350.233671 202.2
[M+Na-2H]- 312.194486 170.3
[M]+ 291.21927142 171.1
[M]- 291.22036858 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe