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

53
Patents

213.1266 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13388 151.6
[M+Na]+ 236.11582 162.3
[M-H]- 212.11932 154.0
[M+NH4]+ 231.16042 169.6
[M+K]+ 252.08976 156.9
[M+H-H2O]+ 196.12386 137.8
[M+HCOO]- 258.12480 171.6
[M+CH3COO]- 272.14045 203.4
[M+Na-2H]- 234.10127 156.1
[M]+ 213.12605 148.1
[M]- 213.12715 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