CID 28787588

4-[2-(thiomorpholin-4-yl)ethyl]aniline

Structural Information

Molecular Formula
C12H18N2S
SMILES
C1CSCCN1CCC2=CC=C(C=C2)N
InChI
InChI=1S/C12H18N2S/c13-12-3-1-11(2-4-12)5-6-14-7-9-15-10-8-14/h1-4H,5-10,13H2
InChIKey
QLEWSVVVLAMGRE-UHFFFAOYSA-N
Compound name
4-(2-thiomorpholin-4-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11906 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12634 148.6
[M+Na]+ 245.10828 153.6
[M-H]- 221.11178 152.5
[M+NH4]+ 240.15288 165.4
[M+K]+ 261.08222 149.2
[M+H-H2O]+ 205.11632 140.9
[M+HCOO]- 267.11726 163.4
[M+CH3COO]- 281.13291 159.4
[M+Na-2H]- 243.09373 150.6
[M]+ 222.11851 144.3
[M]- 222.11961 144.3
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.