CID 21444292

2-benzylthiomorpholine

Structural Information

Molecular Formula
C11H15NS
SMILES
C1CSC(CN1)CC2=CC=CC=C2
InChI
InChI=1S/C11H15NS/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2
InChIKey
IIMUARVOSAPLDJ-UHFFFAOYSA-N
Compound name
2-benzylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

193.09251 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09979 140.7
[M+Na]+ 216.08173 145.6
[M-H]- 192.08523 143.7
[M+NH4]+ 211.12633 158.2
[M+K]+ 232.05567 141.2
[M+H-H2O]+ 176.08977 133.6
[M+HCOO]- 238.09071 154.0
[M+CH3COO]- 252.10636 151.7
[M+Na-2H]- 214.06718 143.9
[M]+ 193.09196 135.4
[M]- 193.09306 135.4
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