CID 57665252

3-tert-butyl-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C12H17N
SMILES
CC(C)(C)C1CNC2=CC=CC=C12
InChI
InChI=1S/C12H17N/c1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h4-7,10,13H,8H2,1-3H3
InChIKey
UGMHCUGSEVODRD-UHFFFAOYSA-N
Compound name
3-tert-butyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

175.1361 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 141.5
[M+Na]+ 198.12532 149.2
[M-H]- 174.12882 143.3
[M+NH4]+ 193.16992 163.1
[M+K]+ 214.09926 145.5
[M+H-H2O]+ 158.13336 136.2
[M+HCOO]- 220.13430 160.0
[M+CH3COO]- 234.14995 178.9
[M+Na-2H]- 196.11077 147.3
[M]+ 175.13555 139.1
[M]- 175.13665 139.1
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