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

133
Patents

188.13135 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.9
[M+Na]+ 211.12057 152.7
[M-H]- 187.12407 145.3
[M+NH4]+ 206.16517 163.9
[M+K]+ 227.09451 148.2
[M+H-H2O]+ 171.12861 137.5
[M+HCOO]- 233.12955 164.7
[M+CH3COO]- 247.14520 183.7
[M+Na-2H]- 209.10602 149.4
[M]+ 188.13080 142.1
[M]- 188.13190 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