CID 43146823

2-(5-methylthiophen-2-yl)-2-(morpholin-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C11H18N2OS
SMILES
CC1=CC=C(S1)C(CN)N2CCOCC2
InChI
InChI=1S/C11H18N2OS/c1-9-2-3-11(15-9)10(8-12)13-4-6-14-7-5-13/h2-3,10H,4-8,12H2,1H3
InChIKey
SHUIZRBEIRLXDQ-UHFFFAOYSA-N
Compound name
2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11398 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.121256 151.2
[M+Na]+ 249.103198 156.4
[M-H]- 225.106704 156.2
[M+NH4]+ 244.147803 168.4
[M+K]+ 265.077138 154.7
[M+H-H2O]+ 209.111240 144.2
[M+HCOO]- 271.112181 165.5
[M+CH3COO]- 285.127831 188.5
[M+Na-2H]- 247.088646 150.7
[M]+ 226.11343142 148.7
[M]- 226.11452858 148.7
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.