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]+ 247.14411 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
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.