CID 62693823

1-(methylsulfanyl)-3-(thiophen-2-yl)propan-2-amine

Structural Information

Molecular Formula
C8H13NS2
SMILES
CSCC(CC1=CC=CS1)N
InChI
InChI=1S/C8H13NS2/c1-10-6-7(9)5-8-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3
InChIKey
PCOUIANQSHKAPU-UHFFFAOYSA-N
Compound name
1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04893 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05621 138.8
[M+Na]+ 210.03815 146.1
[M-H]- 186.04165 141.7
[M+NH4]+ 205.08275 160.5
[M+K]+ 226.01209 142.4
[M+H-H2O]+ 170.04619 133.1
[M+HCOO]- 232.04713 152.4
[M+CH3COO]- 246.06278 182.2
[M+Na-2H]- 208.02360 137.7
[M]+ 187.04838 139.8
[M]- 187.04948 139.8
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.