CID 436156

Methiopropamine

Structural Information

Molecular Formula
C8H13NS
SMILES
CC(CC1=CC=CS1)NC
InChI
InChI=1S/C8H13NS/c1-7(9-2)6-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
InChIKey
HPHUWHKFQXTZPS-UHFFFAOYSA-N
Compound name
N-methyl-1-thiophen-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

9
Patents

155.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.084146 133.4
[M+Na]+ 178.066088 140.5
[M-H]- 154.069594 137.3
[M+NH4]+ 173.110693 156.6
[M+K]+ 194.040028 138.6
[M+H-H2O]+ 138.074130 127.8
[M+HCOO]- 200.075071 153.6
[M+CH3COO]- 214.090721 178.0
[M+Na-2H]- 176.051536 135.5
[M]+ 155.07632142 134.6
[M]- 155.07741858 134.6
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