CID 2760966

2-tert-butyl-1h-indol-5-amine

Structural Information

Molecular Formula
C12H16N2
SMILES
CC(C)(C)C1=CC2=C(N1)C=CC(=C2)N
InChI
InChI=1S/C12H16N2/c1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11/h4-7,14H,13H2,1-3H3
InChIKey
PKUZLTGNTQQVTH-UHFFFAOYSA-N
Compound name
2-tert-butyl-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

188.13135 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 142.9
[M+Na]+ 211.120568 152.7
[M-H]- 187.124074 145.3
[M+NH4]+ 206.165173 163.9
[M+K]+ 227.094508 148.2
[M+H-H2O]+ 171.128610 137.5
[M+HCOO]- 233.129551 164.7
[M+CH3COO]- 247.145201 183.7
[M+Na-2H]- 209.106016 149.4
[M]+ 188.13080142 142.1
[M]- 188.13189858 142.1
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