CID 8367

Etryptamine

Structural Information

Molecular Formula
C12H16N2
SMILES
CCC(CC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3
InChIKey
ZXUMUPVQYAFTLF-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

68
References

2381
Patents

188.13135 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

patents stripe