CID 28786619

2-(thiomorpholin-4-ylmethyl)aniline

Structural Information

Molecular Formula
C11H16N2S
SMILES
C1CSCCN1CC2=CC=CC=C2N
InChI
InChI=1S/C11H16N2S/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChIKey
ZAEZFXZNLSFHHF-UHFFFAOYSA-N
Compound name
2-(thiomorpholin-4-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

208.10342 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11070 144.4
[M+Na]+ 231.09264 149.8
[M-H]- 207.09614 148.5
[M+NH4]+ 226.13724 161.7
[M+K]+ 247.06658 145.6
[M+H-H2O]+ 191.10068 136.8
[M+HCOO]- 253.10162 159.5
[M+CH3COO]- 267.11727 155.6
[M+Na-2H]- 229.07809 146.8
[M]+ 208.10287 139.6
[M]- 208.10397 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