CID 2794663

137088-51-8

Structural Information

Molecular Formula

C₁₄H₁₇NO₄

SMILES

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-10-7-5-4-6-9(10)8-11(15)12(16)17/h4-7,11H,8H2,1-3H3,(H,16,17)

InChIKey

QONNUMLEACJFME-UHFFFAOYSA-N

Compound name

1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 270
Patents: 263.11575 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]+	264.12303	160.2
[M+Na]+	286.10497	167.5
[M-H]-	262.10847	162.3
[M+NH4]+	281.14957	178.0
[M+K]+	302.07891	165.6
[M+H-H2O]+	246.11301	154.7
[M+HCOO]-	308.11395	177.1
[M+CH3COO]-	322.12960	193.1
[M+Na-2H]-	284.09042	162.5
[M]+	263.11520	161.9
[M]-	263.11630	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe