CID 102540

1003-39-0

Structural Information

Molecular Formula
C4H7NS2
SMILES
CC1CSC(=N)S1
InChI
InChI=1S/C4H7NS2/c1-3-2-6-4(5)7-3/h3,5H,2H2,1H3
InChIKey
CDJQVYPZJVUJNS-UHFFFAOYSA-N
Compound name
4-methyl-1,3-dithiolan-2-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

133.002 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.009276 123.2
[M+Na]+ 155.991218 131.6
[M-H]- 131.994724 127.0
[M+NH4]+ 151.035823 147.3
[M+K]+ 171.965158 128.7
[M+H-H2O]+ 115.999260 118.6
[M+HCOO]- 178.000201 137.0
[M+CH3COO]- 192.015851 171.1
[M+Na-2H]- 153.976666 123.5
[M]+ 133.00145142 121.4
[M]- 133.00254858 121.4
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