CID 134534

Nk-122

Structural Information

Molecular Formula
C12H16N2
SMILES
CC(C)(CC1=CC2=CC=CC=C2N1)N
InChI
InChI=1S/C12H16N2/c1-12(2,13)8-10-7-9-5-3-4-6-11(9)14-10/h3-7,14H,8,13H2,1-2H3
InChIKey
ODPJAJNDECUREX-UHFFFAOYSA-N
Compound name
1-(1H-indol-2-yl)-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

188.13135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.6
[M+Na]+ 211.12057 151.3
[M-H]- 187.12407 144.5
[M+NH4]+ 206.16517 163.1
[M+K]+ 227.09451 146.8
[M+H-H2O]+ 171.12861 136.8
[M+HCOO]- 233.12955 164.3
[M+CH3COO]- 247.14520 183.2
[M+Na-2H]- 209.10602 149.8
[M]+ 188.13080 141.4
[M]- 188.13190 141.4
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