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
1
Annotation Hits

0
References

5
Patents

133.002 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.00928 123.2
[M+Na]+ 155.99122 131.6
[M-H]- 131.99472 127.0
[M+NH4]+ 151.03582 147.3
[M+K]+ 171.96516 128.7
[M+H-H2O]+ 115.99926 118.6
[M+HCOO]- 178.00020 137.0
[M+CH3COO]- 192.01585 171.1
[M+Na-2H]- 153.97667 123.5
[M]+ 133.00145 121.4
[M]- 133.00255 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