CID 131258374

1-imino-n-methyl-1-oxothiolan-3-amine dihydrochloride

Structural Information

Molecular Formula
C5H12N2OS
SMILES
CNC1CCS(=N)(=O)C1
InChI
InChI=1S/C5H12N2OS/c1-7-5-2-3-9(6,8)4-5/h5-7H,2-4H2,1H3
InChIKey
UEENHLAKPNXRPW-UHFFFAOYSA-N
Compound name
1-imino-N-methyl-1-oxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06703 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07431 129.5
[M+Na]+ 171.05625 137.1
[M+NH4]+ 166.10085 139.4
[M+K]+ 187.03019 130.3
[M-H]- 147.05975 131.2
[M+Na-2H]- 169.04170 134.7
[M]+ 148.06648 131.3
[M]- 148.06758 131.3
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.