CID 155977736

4-amino-1-imino-1lambda6-thian-1-one dihydrochloride

Structural Information

Molecular Formula
C5H12N2OS
SMILES
C1CS(=N)(=O)CCC1N
InChI
InChI=1S/C5H12N2OS/c6-5-1-3-9(7,8)4-2-5/h5,7H,1-4,6H2
InChIKey
LRISHIITPBUEJX-UHFFFAOYSA-N
Compound name
1-imino-1-oxothian-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06703 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07431 127.7
[M+Na]+ 171.05625 136.2
[M+NH4]+ 166.10085 137.7
[M+K]+ 187.03019 127.6
[M-H]- 147.05975 130.1
[M+Na-2H]- 169.04170 133.7
[M]+ 148.06648 129.8
[M]- 148.06758 129.8
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

No patent data available for this compound.