CID 2794915

3-(methylthio)butan-2-one oxime

Structural Information

Molecular Formula
C5H11NOS
SMILES
CC(C(=NO)C)SC
InChI
InChI=1S/C5H11NOS/c1-4(6-7)5(2)8-3/h5,7H,1-3H3
InChIKey
WDQAHRJGGIAFLZ-UHFFFAOYSA-N
Compound name
N-(3-methylsulfanylbutan-2-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

133.05614 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06342 128.6
[M+Na]+ 156.04536 137.2
[M+NH4]+ 151.08996 136.8
[M+K]+ 172.01930 131.0
[M-H]- 132.04886 128.5
[M+Na-2H]- 154.03081 131.3
[M]+ 133.05559 129.9
[M]- 133.05669 129.9
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