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]+ 174.13111 139.9
[M+Na]+ 196.11305 143.8
[M-H]- 172.11655 139.7
[M+NH4]+ 191.15765 158.6
[M+K]+ 212.08699 141.3
[M+H-H2O]+ 156.12109 133.8
[M+HCOO]- 218.12203 151.0
[M+CH3COO]- 232.13768 177.2
[M+Na-2H]- 194.09850 140.2
[M]+ 173.12328 135.8
[M]- 173.12438 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.