CID 16781678

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

Structural Information

Molecular Formula
C12H17N
SMILES
CC(C)(C)C1=CC2=C(C=C1)NCC2
InChI
InChI=1S/C12H17N/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h4-5,8,13H,6-7H2,1-3H3
InChIKey
DCWWFXGCBMZVFC-UHFFFAOYSA-N
Compound name
5-tert-butyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

175.1361 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 141.5
[M+Na]+ 198.125318 149.2
[M-H]- 174.128824 143.3
[M+NH4]+ 193.169923 163.1
[M+K]+ 214.099258 145.5
[M+H-H2O]+ 158.133360 136.2
[M+HCOO]- 220.134301 160.0
[M+CH3COO]- 234.149951 178.9
[M+Na-2H]- 196.110766 147.3
[M]+ 175.13555142 139.1
[M]- 175.13664858 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

No literature data available for this compound.

Patent stripe

patents stripe