CID 28991

Delta-indolylbutylamine hydrochloride

Structural Information

Molecular Formula
C12H16N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCCCN
InChI
InChI=1S/C12H16N2/c13-8-4-3-5-10-9-14-12-7-2-1-6-11(10)12/h1-2,6-7,9,14H,3-5,8,13H2
InChIKey
GZQBGZWAALHNBW-UHFFFAOYSA-N
Compound name
4-(1H-indol-3-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

55
Patents

188.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 141.4
[M+Na]+ 211.12057 153.7
[M+NH4]+ 206.16517 150.4
[M+K]+ 227.09451 147.8
[M-H]- 187.12407 143.9
[M+Na-2H]- 209.10602 147.9
[M]+ 188.13080 143.8
[M]- 188.13190 143.8
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