CID 433941

2-iminothiolane

Structural Information

Molecular Formula
C4H7NS
SMILES
C1CC(=N)SC1
InChI
InChI=1S/C4H7NS/c5-4-2-1-3-6-4/h5H,1-3H2
InChIKey
CNHYKKNIIGEXAY-UHFFFAOYSA-N
Compound name
thiolan-2-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

174
References

42335
Patents

101.02992 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.03720 118.7
[M+Na]+ 124.01914 127.9
[M+NH4]+ 119.06374 128.8
[M+K]+ 139.99308 121.8
[M-H]- 100.02264 121.2
[M+Na-2H]- 122.00459 123.5
[M]+ 101.02937 120.9
[M]- 101.03047 120.9
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