CID 5159796

Mercaptoacetone oxime

Structural Information

Molecular Formula
C3H7NOS
SMILES
CC(=NO)CS
InChI
InChI=1S/C3H7NOS/c1-3(2-6)4-5/h5-6H,2H2,1H3
InChIKey
RYOVLPIUSNOGAK-UHFFFAOYSA-N
Compound name
N-(1-sulfanylpropan-2-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

105.02483 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.03211 119.5
[M+Na]+ 128.01405 128.9
[M+NH4]+ 123.05865 128.2
[M+K]+ 143.98799 122.3
[M-H]- 104.01755 119.8
[M+Na-2H]- 125.99950 123.1
[M]+ 105.02428 121.1
[M]- 105.02538 121.1
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

patents stripe