CID 3061406

79128-39-5

Structural Information

Molecular Formula
C8H17NS
SMILES
CCCCC1NCCCS1
InChI
InChI=1S/C8H17NS/c1-2-3-5-8-9-6-4-7-10-8/h8-9H,2-7H2,1H3
InChIKey
XUDPUKHCVOHLJF-UHFFFAOYSA-N
Compound name
2-butyl-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.10817 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11545 135.2
[M+Na]+ 182.09739 139.7
[M-H]- 158.10089 135.0
[M+NH4]+ 177.14199 154.4
[M+K]+ 198.07133 137.0
[M+H-H2O]+ 142.10543 129.1
[M+HCOO]- 204.10637 147.7
[M+CH3COO]- 218.12202 173.3
[M+Na-2H]- 180.08284 137.0
[M]+ 159.10762 131.3
[M]- 159.10872 131.3
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

patents stripe