CID 56807259

2-(propan-2-yl)thiomorpholine

Structural Information

Molecular Formula
C7H15NS
SMILES
CC(C)C1CNCCS1
InChI
InChI=1S/C7H15NS/c1-6(2)7-5-8-3-4-9-7/h6-8H,3-5H2,1-2H3
InChIKey
PZXQCEVMESPTFU-UHFFFAOYSA-N
Compound name
2-propan-2-ylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

145.09251 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 131.2
[M+Na]+ 168.08173 135.9
[M-H]- 144.08523 131.3
[M+NH4]+ 163.12633 151.0
[M+K]+ 184.05567 133.9
[M+H-H2O]+ 128.08977 125.5
[M+HCOO]- 190.09071 143.0
[M+CH3COO]- 204.10636 171.1
[M+Na-2H]- 166.06718 132.4
[M]+ 145.09196 126.4
[M]- 145.09306 126.4
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