CID 61023327

N'-hydroxy-4-(methylsulfanyl)butanimidamide

Structural Information

Molecular Formula
C5H12N2OS
SMILES
CSCCC/C(=N/O)/N
InChI
InChI=1S/C5H12N2OS/c1-9-4-2-3-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKey
WBKZPGCSQTXMOS-UHFFFAOYSA-N
Compound name
N'-hydroxy-4-methylsulfanylbutanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06703 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07431 130.9
[M+Na]+ 171.05625 136.7
[M-H]- 147.05975 130.6
[M+NH4]+ 166.10085 151.7
[M+K]+ 187.03019 135.2
[M+H-H2O]+ 131.06429 125.1
[M+HCOO]- 193.06523 150.0
[M+CH3COO]- 207.08088 178.2
[M+Na-2H]- 169.04170 133.2
[M]+ 148.06648 131.0
[M]- 148.06758 131.0
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.