CID 13333387

1,2,5-dithiazepane

Structural Information

Molecular Formula
C4H9NS2
SMILES
C1CSSCCN1
InChI
InChI=1S/C4H9NS2/c1-3-6-7-4-2-5-1/h5H,1-4H2
InChIKey
LQZPWKIAEIOFEI-UHFFFAOYSA-N
Compound name
1,2,5-dithiazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

135.01764 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.02492 122.1
[M+Na]+ 158.00686 129.9
[M+NH4]+ 153.05146 131.2
[M+K]+ 173.98080 122.7
[M-H]- 134.01036 123.8
[M+Na-2H]- 155.99231 126.5
[M]+ 135.01709 124.5
[M]- 135.01819 124.5
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