CID 25010757

(e)-5-(methylthio)pentanal oxime

Structural Information

Molecular Formula
C6H13NOS
SMILES
CSCCCC/C=N/O
InChI
InChI=1S/C6H13NOS/c1-9-6-4-2-3-5-7-8/h5,8H,2-4,6H2,1H3/b7-5+
InChIKey
KNFFJJFEYQLINT-FNORWQNLSA-N
Compound name
(NE)-N-(5-methylsulfanylpentylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

147.0718 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 130.6
[M+Na]+ 170.06102 137.2
[M-H]- 146.06452 130.9
[M+NH4]+ 165.10562 152.3
[M+K]+ 186.03496 135.6
[M+H-H2O]+ 130.06906 125.3
[M+HCOO]- 192.07000 150.2
[M+CH3COO]- 206.08565 176.2
[M+Na-2H]- 168.04647 134.3
[M]+ 147.07125 133.7
[M]- 147.07235 133.7
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

patents stripe