CID 87961

1,3-dithiolan-2-imine

Structural Information

Molecular Formula
C3H5NS2
SMILES
C1CSC(=N)S1
InChI
InChI=1S/C3H5NS2/c4-3-5-1-2-6-3/h4H,1-2H2
InChIKey
MQCJIZHQXNUAQQ-UHFFFAOYSA-N
Compound name
1,3-dithiolan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

120
Patents

118.98634 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.99362 119.4
[M+Na]+ 141.97556 127.5
[M-H]- 117.97906 123.1
[M+NH4]+ 137.02016 143.8
[M+K]+ 157.94950 124.9
[M+H-H2O]+ 101.98360 114.7
[M+HCOO]- 163.98454 133.6
[M+CH3COO]- 178.00019 167.1
[M+Na-2H]- 139.96101 120.8
[M]+ 118.98579 116.9
[M]- 118.98689 116.9
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