CID 3061408

79128-40-8

Structural Information

Molecular Formula
C9H19NS
SMILES
CCCC(C)C1NCCCS1
InChI
InChI=1S/C9H19NS/c1-3-5-8(2)9-10-6-4-7-11-9/h8-10H,3-7H2,1-2H3
InChIKey
RTGSJOUFKVMUFN-UHFFFAOYSA-N
Compound name
2-pentan-2-yl-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12383 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.131106 139.9
[M+Na]+ 196.113048 143.8
[M-H]- 172.116554 139.7
[M+NH4]+ 191.157653 158.6
[M+K]+ 212.086988 141.3
[M+H-H2O]+ 156.121090 133.8
[M+HCOO]- 218.122031 151.0
[M+CH3COO]- 232.137681 177.2
[M+Na-2H]- 194.098496 140.2
[M]+ 173.12328142 135.8
[M]- 173.12437858 135.8
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.