CID 1832

N,n-dimethyl-5-methoxytryptamine

Structural Information

Molecular Formula
C13H18N2O
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKey
ZSTKHSQDNIGFLM-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

421
References

2035
Patents

218.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 149.3
[M+Na]+ 241.13112 158.0
[M-H]- 217.13462 153.1
[M+NH4]+ 236.17572 169.6
[M+K]+ 257.10506 155.1
[M+H-H2O]+ 201.13916 142.4
[M+HCOO]- 263.14010 173.6
[M+CH3COO]- 277.15575 193.1
[M+Na-2H]- 239.11657 154.8
[M]+ 218.14135 153.0
[M]- 218.14245 153.0
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