CID 52971

5-acetyl-n,n-dimethyltryptamine hydrochloride

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC(=O)C1=CC2=C(C=C1)NC=C2CCN(C)C
InChI
InChI=1S/C14H18N2O/c1-10(17)11-4-5-14-13(8-11)12(9-15-14)6-7-16(2)3/h4-5,8-9,15H,6-7H2,1-3H3
InChIKey
LMCPLRMTEPSADY-UHFFFAOYSA-N
Compound name
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 153.4
[M+Na]+ 253.131118 161.7
[M-H]- 229.134624 157.1
[M+NH4]+ 248.175723 173.0
[M+K]+ 269.105058 158.4
[M+H-H2O]+ 213.139160 146.5
[M+HCOO]- 275.140101 176.5
[M+CH3COO]- 289.155751 196.1
[M+Na-2H]- 251.116566 157.1
[M]+ 230.14135142 156.1
[M]- 230.14244858 156.1
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

No patent data available for this compound.