CID 100117

142847-18-5

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)
InChIKey
CNBUSIJNWNXLQQ-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4801
Patents

281.1263 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13358 164.3
[M+Na]+ 304.11552 171.5
[M+NH4]+ 299.16012 168.4
[M+K]+ 320.08946 169.8
[M-H]- 280.11902 162.3
[M+Na-2H]- 302.10097 166.3
[M]+ 281.12575 164.2
[M]- 281.12685 164.2
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