CID 130735417

1864906-96-6

Structural Information

Molecular Formula
C11H21NS
SMILES
CC(=C)CCN1CCSC(C1)(C)C
InChI
InChI=1S/C11H21NS/c1-10(2)5-6-12-7-8-13-11(3,4)9-12/h1,5-9H2,2-4H3
InChIKey
SQEGRQAPZGDFHW-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(3-methylbut-3-enyl)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]+ 200.146746 145.0
[M+Na]+ 222.128688 150.4
[M-H]- 198.132194 146.4
[M+NH4]+ 217.173293 165.5
[M+K]+ 238.102628 148.1
[M+H-H2O]+ 182.136730 139.5
[M+HCOO]- 244.137671 157.1
[M+CH3COO]- 258.153321 185.6
[M+Na-2H]- 220.114136 145.5
[M]+ 199.13892142 143.5
[M]- 199.14001858 143.5
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.