CID 59016

Brn 0396845

Structural Information

Molecular Formula
C12H16N2S
SMILES
CC(CN)C1=CNC2=C1C=C(C=C2)SC
InChI
InChI=1S/C12H16N2S/c1-8(6-13)11-7-14-12-4-3-9(15-2)5-10(11)12/h3-5,7-8,14H,6,13H2,1-2H3
InChIKey
YFWHLMAYUIYLTO-UHFFFAOYSA-N
Compound name
2-(5-methylsulfanyl-1H-indol-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.10342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11070 148.1
[M+Na]+ 243.09264 159.8
[M+NH4]+ 238.13724 157.2
[M+K]+ 259.06658 152.9
[M-H]- 219.09614 150.6
[M+Na-2H]- 241.07809 153.1
[M]+ 220.10287 150.9
[M]- 220.10397 150.9
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.