CID 72208373

885270-62-2

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC(C)(C)OC(=O)CC1=C(C2=CC=CC=C2N1)CCN
InChI
InChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)10-14-12(8-9-17)11-6-4-5-7-13(11)18-14/h4-7,18H,8-10,17H2,1-3H3
InChIKey
VSRGCUTZMGLYOA-UHFFFAOYSA-N
Compound name
tert-butyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.175396 167.3
[M+Na]+ 297.157338 175.0
[M-H]- 273.160844 169.1
[M+NH4]+ 292.201943 184.4
[M+K]+ 313.131278 170.8
[M+H-H2O]+ 257.165380 160.9
[M+HCOO]- 319.166321 187.2
[M+CH3COO]- 333.181971 199.3
[M+Na-2H]- 295.142786 170.6
[M]+ 274.16757142 169.3
[M]- 274.16866858 169.3
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.