CID 9576102

Acetaldehyde, 2-(methylthio)-, oxime

Structural Information

Molecular Formula
C3H7NOS
SMILES
CSC/C=N/O
InChI
InChI=1S/C3H7NOS/c1-6-3-2-4-5/h2,5H,3H2,1H3/b4-2+
InChIKey
AGVHWUQIIQHFCW-DUXPYHPUSA-N
Compound name
(NE)-N-(2-methylsulfanylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

105.02483 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.032106 117.3
[M+Na]+ 128.014048 125.2
[M-H]- 104.017554 118.2
[M+NH4]+ 123.058653 140.7
[M+K]+ 143.987988 124.4
[M+H-H2O]+ 88.022090 112.6
[M+HCOO]- 150.023031 137.8
[M+CH3COO]- 164.038681 167.1
[M+Na-2H]- 125.999496 122.5
[M]+ 105.02428142 119.2
[M]- 105.02537858 119.2
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

patents stripe