CID 394091

907969-24-8

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)NCCC1CNC2=CC=CC=C12
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-9-8-11-10-17-13-7-5-4-6-12(11)13/h4-7,11,17H,8-10H2,1-3H3,(H,16,18)
InChIKey
ZEQWYBCGYJDKQN-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

262.16812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 164.4
[M+Na]+ 285.157338 169.7
[M-H]- 261.160844 165.7
[M+NH4]+ 280.201943 181.9
[M+K]+ 301.131278 166.4
[M+H-H2O]+ 245.165380 158.0
[M+HCOO]- 307.166321 182.5
[M+CH3COO]- 321.181971 195.6
[M+Na-2H]- 283.142786 168.1
[M]+ 262.16757142 163.7
[M]- 262.16866858 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe