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]+ 134.063416 126.1
[M+Na]+ 156.045358 133.2
[M-H]- 132.048864 126.7
[M+NH4]+ 151.089963 148.4
[M+K]+ 172.019298 131.9
[M+H-H2O]+ 116.053400 121.1
[M+HCOO]- 178.054341 146.1
[M+CH3COO]- 192.069991 173.2
[M+Na-2H]- 154.030806 130.4
[M]+ 133.05559142 128.9
[M]- 133.05668858 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.