CID 59005

101832-75-1

Structural Information

Molecular Formula
C11H14N2S
SMILES
CSC1=CC2=C(C=C1)NC=C2CCN
InChI
InChI=1S/C11H14N2S/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
InChIKey
GPVGTFCMHIZIKO-UHFFFAOYSA-N
Compound name
2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.08777 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.095046 142.6
[M+Na]+ 229.076988 152.8
[M-H]- 205.080494 144.9
[M+NH4]+ 224.121593 163.3
[M+K]+ 245.050928 147.3
[M+H-H2O]+ 189.085030 136.9
[M+HCOO]- 251.085971 161.1
[M+CH3COO]- 265.101621 155.7
[M+Na-2H]- 227.062436 146.0
[M]+ 206.08722142 144.5
[M]- 206.08831858 144.5
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