CID 23629403

954134-92-0

Structural Information

Molecular Formula

C₁₅H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)C(=O)CC2

InChI

InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-9-10-4-6-12-11(8-10)5-7-13(12)17/h4,6,8H,5,7,9H2,1-3H3,(H,16,18)

InChIKey

XSXYYZQXIQYNBK-UHFFFAOYSA-N

Compound name

tert-butyl N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.1365 Da
Monoisotopic Mass: 2.2
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]+	262.143776	161.0
[M+Na]+	284.125718	167.8
[M-H]-	260.129224	165.5
[M+NH4]+	279.170323	180.7
[M+K]+	300.099658	165.5
[M+H-H2O]+	244.133760	155.6
[M+HCOO]-	306.134701	182.3
[M+CH3COO]-	320.150351	197.9
[M+Na-2H]-	282.111166	164.7
[M]+	261.13595142	162.8
[M]-	261.13704858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.