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]+ 275.17540 167.3
[M+Na]+ 297.15734 175.0
[M-H]- 273.16084 169.1
[M+NH4]+ 292.20194 184.4
[M+K]+ 313.13128 170.8
[M+H-H2O]+ 257.16538 160.9
[M+HCOO]- 319.16632 187.2
[M+CH3COO]- 333.18197 199.3
[M+Na-2H]- 295.14279 170.6
[M]+ 274.16757 169.3
[M]- 274.16867 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.