CID 130726719

2,2-dimethyl-4-(3-methylbutyl)thiomorpholine

Structural Information

Molecular Formula
C11H23NS
SMILES
CC(C)CCN1CCSC(C1)(C)C
InChI
InChI=1S/C11H23NS/c1-10(2)5-6-12-7-8-13-11(3,4)9-12/h10H,5-9H2,1-4H3
InChIKey
UUAKWGAEFNFSOZ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(3-methylbutyl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.15512 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.16240 146.1
[M+Na]+ 224.14434 151.2
[M-H]- 200.14784 147.5
[M+NH4]+ 219.18894 166.7
[M+K]+ 240.11828 149.5
[M+H-H2O]+ 184.15238 140.5
[M+HCOO]- 246.15332 158.0
[M+CH3COO]- 260.16897 186.5
[M+Na-2H]- 222.12979 146.6
[M]+ 201.15457 145.3
[M]- 201.15567 145.3
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.