CID 2794915

2-butanone, 3-(methylthio)-, 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

5
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 127.4
[M+Na]+ 156.04536 133.9
[M-H]- 132.04886 128.1
[M+NH4]+ 151.08996 149.5
[M+K]+ 172.01930 133.5
[M+H-H2O]+ 116.05340 122.4
[M+HCOO]- 178.05434 145.2
[M+CH3COO]- 192.06999 174.9
[M+Na-2H]- 154.03081 129.3
[M]+ 133.05559 128.9
[M]- 133.05669 128.9
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