CID 73010967

1823852-60-3

Structural Information

Molecular Formula

C₁₅H₁₉NO₄

SMILES

CC1(CC2=CC=CC=C2N1C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-11-8-6-5-7-10(11)9-15(16,4)12(17)18/h5-8H,9H2,1-4H3,(H,17,18)

InChIKey

RSXMDYBBGAXXGF-UHFFFAOYSA-N

Compound name

2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3H-indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 277.1314 Da
Monoisotopic Mass: 2.5
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	163.9
[M+Na]+	300.120618	171.8
[M-H]-	276.124124	166.2
[M+NH4]+	295.165223	183.2
[M+K]+	316.094558	169.9
[M+H-H2O]+	260.128660	159.2
[M+HCOO]-	322.129601	180.6
[M+CH3COO]-	336.145251	195.6
[M+Na-2H]-	298.106066	167.2
[M]+	277.13085142	166.4
[M]-	277.13194858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe