CID 89183872

1292835-87-0

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)CN1C=CC2=C1C=CC(=C2)N

InChI

InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)9-16-7-6-10-8-11(15)4-5-12(10)16/h4-8H,9,15H2,1-3H3

InChIKey

OXMKRKMSNATACP-UHFFFAOYSA-N

Compound name

tert-butyl 2-(5-aminoindol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 246.13683 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]+	247.14411	157.7
[M+Na]+	269.12605	166.7
[M-H]-	245.12955	161.2
[M+NH4]+	264.17065	176.7
[M+K]+	285.09999	163.8
[M+H-H2O]+	229.13409	151.4
[M+HCOO]-	291.13503	179.8
[M+CH3COO]-	305.15068	195.7
[M+Na-2H]-	267.11150	162.5
[M]+	246.13628	160.8
[M]-	246.13738	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe