CID 83212361

1555376-91-4

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

CC1=CC2=C(C=C1N)N(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H20N2O2/c1-9-7-10-5-6-16(12(10)8-11(9)15)13(17)18-14(2,3)4/h7-8H,5-6,15H2,1-4H3

InChIKey

ABEKZHQHASZMDE-UHFFFAOYSA-N

Compound name

tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 248.15248 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]+	249.159756	159.7
[M+Na]+	271.141698	167.7
[M-H]-	247.145204	162.9
[M+NH4]+	266.186303	178.8
[M+K]+	287.115638	165.2
[M+H-H2O]+	231.149740	153.9
[M+HCOO]-	293.150681	178.9
[M+CH3COO]-	307.166331	196.9
[M+Na-2H]-	269.127146	162.0
[M]+	248.15193142	160.3
[M]-	248.15302858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe