CID 27303

15467-31-9

Structural Information

Molecular Formula
C12H16N2
SMILES
CC(C)(CN)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H16N2/c1-12(2,8-13)10-7-14-11-6-4-3-5-9(10)11/h3-7,14H,8,13H2,1-2H3
InChIKey
BRRFYKZLWPFRQZ-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

188.13135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 142.6
[M+Na]+ 211.120568 151.3
[M-H]- 187.124074 144.5
[M+NH4]+ 206.165173 163.1
[M+K]+ 227.094508 146.8
[M+H-H2O]+ 171.128610 136.8
[M+HCOO]- 233.129551 164.3
[M+CH3COO]- 247.145201 183.2
[M+Na-2H]- 209.106016 149.8
[M]+ 188.13080142 141.4
[M]- 188.13189858 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

No literature data available for this compound.

Patent stripe

patents stripe