CID 80549

6302-94-9

Structural Information

Molecular Formula
C4H9NS2
SMILES
CN1CSCSC1
InChI
InChI=1S/C4H9NS2/c1-5-2-6-4-7-3-5/h2-4H2,1H3
InChIKey
QMWSBGCIPZEDPP-UHFFFAOYSA-N
Compound name
5-methyl-1,3,5-dithiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

135.01764 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.02492 121.8
[M+Na]+ 158.00686 128.7
[M-H]- 134.01036 123.6
[M+NH4]+ 153.05146 142.9
[M+K]+ 173.98080 126.5
[M+H-H2O]+ 118.01490 116.4
[M+HCOO]- 180.01584 131.5
[M+CH3COO]- 194.03149 169.2
[M+Na-2H]- 155.99231 123.6
[M]+ 135.01709 119.3
[M]- 135.01819 119.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe