CID 27302

4-(1h-indol-3-yl)butan-2-amine

Structural Information

Molecular Formula
C12H16N2
SMILES
CC(CCC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C12H16N2/c1-9(13)6-7-10-8-14-12-5-3-2-4-11(10)12/h2-5,8-9,14H,6-7,13H2,1H3
InChIKey
FEIOENIFHULYLW-UHFFFAOYSA-N
Compound name
4-(1H-indol-3-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

188.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 142.1
[M+Na]+ 211.120568 150.1
[M-H]- 187.124074 143.8
[M+NH4]+ 206.165173 162.4
[M+K]+ 227.094508 145.6
[M+H-H2O]+ 171.128610 135.7
[M+HCOO]- 233.129551 164.4
[M+CH3COO]- 247.145201 183.7
[M+Na-2H]- 209.106016 147.4
[M]+ 188.13080142 140.8
[M]- 188.13189858 140.8
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