CID 237774

Tetrahydrothiopyran-4-one oxime

Structural Information

Molecular Formula
C5H9NOS
SMILES
C1CSCCC1=NO
InChI
InChI=1S/C5H9NOS/c7-6-5-1-3-8-4-2-5/h7H,1-4H2
InChIKey
XWSBAVVPGULZOY-UHFFFAOYSA-N
Compound name
N-(thian-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

131.04048 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.04776 123.8
[M+Na]+ 154.02970 129.4
[M-H]- 130.03320 127.0
[M+NH4]+ 149.07430 145.7
[M+K]+ 170.00364 128.1
[M+H-H2O]+ 114.03774 118.4
[M+HCOO]- 176.03868 141.4
[M+CH3COO]- 190.05433 169.4
[M+Na-2H]- 152.01515 128.2
[M]+ 131.03993 120.1
[M]- 131.04103 120.1
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