CID 136574189

Tert-butyl 2-(4-amino-1h-indol-1-yl)acetate

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC(C)(C)OC(=O)CN1C=CC2=C(C=CC=C21)N
InChI
InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)9-16-8-7-10-11(15)5-4-6-12(10)16/h4-8H,9,15H2,1-3H3
InChIKey
KYIJLLAXPPJCFE-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-aminoindol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 157.7
[M+Na]+ 269.126048 166.7
[M-H]- 245.129554 161.2
[M+NH4]+ 264.170653 176.7
[M+K]+ 285.099988 163.8
[M+H-H2O]+ 229.134090 151.4
[M+HCOO]- 291.135031 179.8
[M+CH3COO]- 305.150681 195.7
[M+Na-2H]- 267.111496 162.5
[M]+ 246.13628142 160.8
[M]- 246.13737858 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.