CID 16244022

55362-76-0

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)OC)C(=O)O
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)9-5-7-10(19-4)8-6-9/h5-8,11H,1-4H3,(H,15,18)(H,16,17)
InChIKey
JRUKDUAEXGBAKC-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

281.1263 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13358 163.8
[M+Na]+ 304.11552 171.6
[M+NH4]+ 299.16012 168.2
[M+K]+ 320.08946 169.6
[M-H]- 280.11902 162.4
[M+Na-2H]- 302.10097 166.5
[M]+ 281.12575 164.0
[M]- 281.12685 164.0
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