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
1
Annotation Hits

174
References

45346
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 117.6
[M+Na]+ 124.01914 124.8
[M-H]- 100.02264 121.3
[M+NH4]+ 119.06374 142.6
[M+K]+ 139.99308 123.4
[M+H-H2O]+ 84.027180 112.7
[M+HCOO]- 146.02812 137.3
[M+CH3COO]- 160.04377 164.9
[M+Na-2H]- 122.00459 120.9
[M]+ 101.02937 114.3
[M]- 101.03047 114.3
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