CID 112693924

1314778-71-6

Structural Information

Molecular Formula

C₁₅H₁₉NO₄

SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2(CC2)C(=O)O

InChI

InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-11-6-4-10(5-7-11)15(8-9-15)12(17)18/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)

InChIKey

YQFVRQRUIKFSJF-UHFFFAOYSA-N

Compound name

1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1314 Da
Monoisotopic Mass: 2.3
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]+	278.138676	160.7
[M+Na]+	300.120618	168.2
[M-H]-	276.124124	167.0
[M+NH4]+	295.165223	173.1
[M+K]+	316.094558	166.1
[M+H-H2O]+	260.128660	155.7
[M+HCOO]-	322.129601	180.7
[M+CH3COO]-	336.145251	200.1
[M+Na-2H]-	298.106066	165.5
[M]+	277.13085142	164.8
[M]-	277.13194858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.