CID 10332290

Schembl2739015

Structural Information

Molecular Formula
C14H19NO3
SMILES
COC(=O)C(C1CCCCN1)C2=CC=C(C=C2)O
InChI
InChI=1S/C14H19NO3/c1-18-14(17)13(12-4-2-3-9-15-12)10-5-7-11(16)8-6-10/h5-8,12-13,15-16H,2-4,9H2,1H3
InChIKey
XVXFNANJMMTNSO-UHFFFAOYSA-N
Compound name
methyl 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

249.13649 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.3
[M+Na]+ 272.12571 161.4
[M-H]- 248.12921 159.7
[M+NH4]+ 267.17031 172.0
[M+K]+ 288.09965 158.4
[M+H-H2O]+ 232.13375 150.5
[M+HCOO]- 294.13469 172.8
[M+CH3COO]- 308.15034 188.2
[M+Na-2H]- 270.11116 159.3
[M]+ 249.13594 152.5
[M]- 249.13704 152.5
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