CID 216947

37914-95-7

Structural Information

Molecular Formula

C₅H₁₀N₂S

SMILES

CCN1CCSC1=N

InChI

InChI=1S/C5H10N2S/c1-2-7-3-4-8-5(7)6/h6H,2-4H2,1H3

InChIKey

BECXBMWBOQXHRX-UHFFFAOYSA-N

Compound name

3-ethyl-1,3-thiazolidin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 130.05647 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	131.063746	125.4
[M+Na]+	153.045688	133.2
[M-H]-	129.049194	127.9
[M+NH4]+	148.090293	148.4
[M+K]+	169.019628	131.5
[M+H-H2O]+	113.053730	119.7
[M+HCOO]-	175.054671	143.7
[M+CH3COO]-	189.070321	171.6
[M+Na-2H]-	151.031136	127.5
[M]+	130.05592142	123.5
[M]-	130.05701858	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe