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]+ 144.047756 129.5
[M+Na]+ 166.029698 137.7
[M-H]- 142.033204 130.6
[M+NH4]+ 161.074303 151.6
[M+K]+ 182.003638 134.8
[M+H-H2O]+ 126.037740 124.4
[M+HCOO]- 188.038681 145.5
[M+CH3COO]- 202.054331 167.6
[M+Na-2H]- 164.015146 130.2
[M]+ 143.03993142 127.5
[M]- 143.04102858 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.