CID 58807

101710-99-0

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC1=C(CN(CC1)C)COC(=O)C(C2=CC=CC=C2)(C(C)C)O
InChI
InChI=1S/C19H27NO3/c1-14(2)19(22,17-8-6-5-7-9-17)18(21)23-13-16-12-20(4)11-10-15(16)3/h5-9,14,22H,10-13H2,1-4H3
InChIKey
DMUUWLZTLXGWII-UHFFFAOYSA-N
Compound name
(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1991 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.206376 177.7
[M+Na]+ 340.188318 181.5
[M-H]- 316.191824 180.8
[M+NH4]+ 335.232923 189.9
[M+K]+ 356.162258 178.6
[M+H-H2O]+ 300.196360 169.7
[M+HCOO]- 362.197301 192.0
[M+CH3COO]- 376.212951 206.8
[M+Na-2H]- 338.173766 178.0
[M]+ 317.19855142 177.0
[M]- 317.19964858 177.0
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.