CID 28786626

3-(thiomorpholin-4-ylmethyl)aniline

Structural Information

Molecular Formula
C11H16N2S
SMILES
C1CSCCN1CC2=CC(=CC=C2)N
InChI
InChI=1S/C11H16N2S/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9,12H2
InChIKey
TUTPFTCILWEGMR-UHFFFAOYSA-N
Compound name
3-(thiomorpholin-4-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.10342 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.110696 144.4
[M+Na]+ 231.092638 149.8
[M-H]- 207.096144 148.5
[M+NH4]+ 226.137243 161.7
[M+K]+ 247.066578 145.6
[M+H-H2O]+ 191.100680 136.8
[M+HCOO]- 253.101621 159.5
[M+CH3COO]- 267.117271 155.6
[M+Na-2H]- 229.078086 146.8
[M]+ 208.10287142 139.6
[M]- 208.10396858 139.6
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

patents stripe