CID 28511

5-cyano-n,n-dimethyltryptamine

Structural Information

Molecular Formula
C13H15N3
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)C#N
InChI
InChI=1S/C13H15N3/c1-16(2)6-5-11-9-15-13-4-3-10(8-14)7-12(11)13/h3-4,7,9,15H,5-6H2,1-2H3
InChIKey
DSNBRTOYUJFTAH-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl]-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

213.1266 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.133876 151.6
[M+Na]+ 236.115818 162.3
[M-H]- 212.119324 154.0
[M+NH4]+ 231.160423 169.6
[M+K]+ 252.089758 156.9
[M+H-H2O]+ 196.123860 137.8
[M+HCOO]- 258.124801 171.6
[M+CH3COO]- 272.140451 203.4
[M+Na-2H]- 234.101266 156.1
[M]+ 213.12605142 148.1
[M]- 213.12714858 148.1
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