CID 58811

101711-02-8

Structural Information

Molecular Formula
C17H19NO3
SMILES
CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CC=CC=N2)O
InChI
InChI=1S/C17H19NO3/c1-13(2)17(20,14-8-4-3-5-9-14)16(19)21-12-15-10-6-7-11-18-15/h3-11,13,20H,12H2,1-2H3
InChIKey
FLUMCGBIBFGWKF-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.143776 167.2
[M+Na]+ 308.125718 172.1
[M-H]- 284.129224 170.7
[M+NH4]+ 303.170323 180.2
[M+K]+ 324.099658 169.0
[M+H-H2O]+ 268.133760 159.0
[M+HCOO]- 330.134701 185.0
[M+CH3COO]- 344.150351 197.7
[M+Na-2H]- 306.111166 171.8
[M]+ 285.13595142 167.7
[M]- 285.13704858 167.7
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.