CID 25010747

4-methylthiobutanaldoxime

Structural Information

Molecular Formula
C5H11NOS
SMILES
CSCCC/C=N/O
InChI
InChI=1S/C5H11NOS/c1-8-5-3-2-4-6-7/h4,7H,2-3,5H2,1H3/b6-4+
InChIKey
DNYWTMVKWUGHCB-GQCTYLIASA-N
Compound name
(NE)-N-(4-methylsulfanylbutylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

133.05614 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06342 126.1
[M+Na]+ 156.04536 133.2
[M-H]- 132.04886 126.7
[M+NH4]+ 151.08996 148.4
[M+K]+ 172.01930 131.9
[M+H-H2O]+ 116.05340 121.1
[M+HCOO]- 178.05434 146.1
[M+CH3COO]- 192.06999 173.2
[M+Na-2H]- 154.03081 130.4
[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

literature stripe

Patent stripe

No patent data available for this compound.