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]+ 286.14378 167.2
[M+Na]+ 308.12572 172.1
[M-H]- 284.12922 170.7
[M+NH4]+ 303.17032 180.2
[M+K]+ 324.09966 169.0
[M+H-H2O]+ 268.13376 159.0
[M+HCOO]- 330.13470 185.0
[M+CH3COO]- 344.15035 197.7
[M+Na-2H]- 306.11117 171.8
[M]+ 285.13595 167.7
[M]- 285.13705 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.