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

12
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 118.0
[M+Na]+ 128.01405 125.6
[M-H]- 104.01755 118.9
[M+NH4]+ 123.05865 141.3
[M+K]+ 143.98799 125.2
[M+H-H2O]+ 88.022090 113.3
[M+HCOO]- 150.02303 137.5
[M+CH3COO]- 164.03868 167.9
[M+Na-2H]- 125.99950 122.0
[M]+ 105.02428 119.3
[M]- 105.02538 119.3
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

patents stripe