CID 13678037

390401-40-8

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CC(C)(C)OC(=O)NC(C)(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H19NO4/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,18)(H,16,17)

InChIKey

WOGUASPHMADVMU-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 265.1314 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.138676	160.6
[M+Na]+	288.120618	165.4
[M-H]-	264.124124	162.6
[M+NH4]+	283.165223	176.0
[M+K]+	304.094558	164.4
[M+H-H2O]+	248.128660	154.9
[M+HCOO]-	310.129601	179.2
[M+CH3COO]-	324.145251	195.7
[M+Na-2H]-	286.106066	165.5
[M]+	265.13085142	161.5
[M]-	265.13194858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe