CID 120280

Penthiazole

Structural Information

Molecular Formula
C4H9NS
SMILES
C1CNCSC1
InChI
InChI=1S/C4H9NS/c1-2-5-4-6-3-1/h5H,1-4H2
InChIKey
HOQOADCYROWGQA-UHFFFAOYSA-N
Compound name
1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2526
Patents

103.04557 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05285 118.0
[M+Na]+ 126.03479 123.4
[M-H]- 102.03829 118.2
[M+NH4]+ 121.07939 139.2
[M+K]+ 142.00873 121.8
[M+H-H2O]+ 86.042830 112.5
[M+HCOO]- 148.04377 131.8
[M+CH3COO]- 162.05942 160.2
[M+Na-2H]- 124.02024 122.5
[M]+ 103.04502 112.3
[M]- 103.04612 112.3
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

No patent data available for this compound.