CID 131753019

Raphanusamide

Structural Information

Molecular Formula
C6H9NOS
SMILES
CO/C=C\1/CCNC1=S
InChI
InChI=1S/C6H9NOS/c1-8-4-5-2-3-7-6(5)9/h4H,2-3H2,1H3,(H,7,9)/b5-4-
InChIKey
FXKRKZYGKOWUNE-PLNGDYQASA-N
Compound name
(3Z)-3-(methoxymethylidene)pyrrolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

143.04048 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 129.5
[M+Na]+ 166.02970 137.7
[M-H]- 142.03320 130.6
[M+NH4]+ 161.07430 151.6
[M+K]+ 182.00364 134.8
[M+H-H2O]+ 126.03774 124.4
[M+HCOO]- 188.03868 145.5
[M+CH3COO]- 202.05433 167.6
[M+Na-2H]- 164.01515 130.2
[M]+ 143.03993 127.5
[M]- 143.04103 127.5
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

No patent data available for this compound.