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]+ 227.12126 151.2
[M+Na]+ 249.10320 156.4
[M-H]- 225.10670 156.2
[M+NH4]+ 244.14780 168.4
[M+K]+ 265.07714 154.7
[M+H-H2O]+ 209.11124 144.2
[M+HCOO]- 271.11218 165.5
[M+CH3COO]- 285.12783 188.5
[M+Na-2H]- 247.08865 150.7
[M]+ 226.11343 148.7
[M]- 226.11453 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.