CID 3061406

2-butyltetrahydro-2h-1,3-thiazine hydrochloride

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

1
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 135.3
[M+Na]+ 182.09739 145.4
[M+NH4]+ 177.14199 144.7
[M+K]+ 198.07133 136.6
[M-H]- 158.10089 137.1
[M+Na-2H]- 180.08284 139.7
[M]+ 159.10762 137.6
[M]- 159.10872 137.6
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