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]+ 160.02492 131.4
[M+Na]+ 182.00686 140.0
[M-H]- 158.01036 132.3
[M+NH4]+ 177.05146 153.1
[M+K]+ 197.98080 135.4
[M+H-H2O]+ 142.01490 126.6
[M+HCOO]- 204.01584 141.4
[M+CH3COO]- 218.03149 170.9
[M+Na-2H]- 179.99231 129.6
[M]+ 159.01709 129.1
[M]- 159.01819 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.