CID 130612248

2,2-dimethyl-4-(2-methylidenebutyl)thiomorpholine

Structural Information

Molecular Formula
C11H21NS
SMILES
CCC(=C)CN1CCSC(C1)(C)C
InChI
InChI=1S/C11H21NS/c1-5-10(2)8-12-6-7-13-11(3,4)9-12/h2,5-9H2,1,3-4H3
InChIKey
PQQHFBKZEISIJV-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(2-methylidenebutyl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.13947 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14675 148.1
[M+Na]+ 222.12869 158.3
[M+NH4]+ 217.17329 158.4
[M+K]+ 238.10263 147.8
[M-H]- 198.13219 149.9
[M+Na-2H]- 220.11414 153.3
[M]+ 199.13892 150.6
[M]- 199.14002 150.6
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

No patent data available for this compound.