CID 10374706

(e)-raphanusanin

Structural Information

Molecular Formula
C6H9NS2
SMILES
CS/C=C\1/CCNC1=S
InChI
InChI=1S/C6H9NS2/c1-9-4-5-2-3-7-6(5)8/h4H,2-3H2,1H3,(H,7,8)/b5-4-
InChIKey
BVYUPEKENRMVJK-PLNGDYQASA-N
Compound name
(3Z)-3-(methylsulfanylmethylidene)pyrrolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

159.01764 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.024916 131.4
[M+Na]+ 182.006858 140.0
[M-H]- 158.010364 132.3
[M+NH4]+ 177.051463 153.1
[M+K]+ 197.980798 135.4
[M+H-H2O]+ 142.014900 126.6
[M+HCOO]- 204.015841 141.4
[M+CH3COO]- 218.031491 170.9
[M+Na-2H]- 179.992306 129.6
[M]+ 159.01709142 129.1
[M]- 159.01818858 129.1
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.