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

48
Patents

188.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.1
[M+Na]+ 211.12057 150.1
[M-H]- 187.12407 143.8
[M+NH4]+ 206.16517 162.4
[M+K]+ 227.09451 145.6
[M+H-H2O]+ 171.12861 135.7
[M+HCOO]- 233.12955 164.4
[M+CH3COO]- 247.14520 183.7
[M+Na-2H]- 209.10602 147.4
[M]+ 188.13080 140.8
[M]- 188.13190 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