CID 131258374

2137595-69-6

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]+ 149.074306 126.5
[M+Na]+ 171.056248 134.1
[M-H]- 147.059754 130.3
[M+NH4]+ 166.100853 151.4
[M+K]+ 187.030188 132.1
[M+H-H2O]+ 131.064290 122.0
[M+HCOO]- 193.065231 147.1
[M+CH3COO]- 207.080881 174.7
[M+Na-2H]- 169.041696 130.7
[M]+ 148.06648142 124.2
[M]- 148.06757858 124.2
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.