CID 47747

7-methyl-n,n-dimethyltryptamine

Structural Information

Molecular Formula
C13H18N2
SMILES
CC1=C2C(=CC=C1)C(=CN2)CCN(C)C
InChI
InChI=1S/C13H18N2/c1-10-5-4-6-12-11(7-8-15(2)3)9-14-13(10)12/h4-6,9,14H,7-8H2,1-3H3
InChIKey
PQSFTUCFMWBITK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(7-methyl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

202.147 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 146.1
[M+Na]+ 225.13622 155.0
[M-H]- 201.13972 149.8
[M+NH4]+ 220.18082 167.1
[M+K]+ 241.11016 151.5
[M+H-H2O]+ 185.14426 139.4
[M+HCOO]- 247.14520 170.2
[M+CH3COO]- 261.16085 191.1
[M+Na-2H]- 223.12167 151.6
[M]+ 202.14645 148.4
[M]- 202.14755 148.4
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