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]+ 200.14675 145.0
[M+Na]+ 222.12869 150.4
[M-H]- 198.13219 146.4
[M+NH4]+ 217.17329 165.5
[M+K]+ 238.10263 148.1
[M+H-H2O]+ 182.13673 139.5
[M+HCOO]- 244.13767 157.1
[M+CH3COO]- 258.15332 185.6
[M+Na-2H]- 220.11414 145.5
[M]+ 199.13892 143.5
[M]- 199.14002 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.