CID 130927962

1856689-45-6

Structural Information

Molecular Formula
C10H19NOS
SMILES
CC1(CN(CCS1)CC2COC2)C
InChI
InChI=1S/C10H19NOS/c1-10(2)8-11(3-4-13-10)5-9-6-12-7-9/h9H,3-8H2,1-2H3
InChIKey
XMSVZXLMXMYPFR-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(oxetan-3-ylmethyl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11873 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12601 136.9
[M+Na]+ 224.10795 140.7
[M-H]- 200.11145 141.8
[M+NH4]+ 219.15255 149.4
[M+K]+ 240.08189 143.4
[M+H-H2O]+ 184.11599 125.7
[M+HCOO]- 246.11693 148.3
[M+CH3COO]- 260.13258 186.0
[M+Na-2H]- 222.09340 139.9
[M]+ 201.11818 144.0
[M]- 201.11928 144.0
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.