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]+ 231.14918 153.4
[M+Na]+ 253.13112 161.7
[M-H]- 229.13462 157.1
[M+NH4]+ 248.17572 173.0
[M+K]+ 269.10506 158.4
[M+H-H2O]+ 213.13916 146.5
[M+HCOO]- 275.14010 176.5
[M+CH3COO]- 289.15575 196.1
[M+Na-2H]- 251.11657 157.1
[M]+ 230.14135 156.1
[M]- 230.14245 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.