CID 366511

Nsc635120

Structural Information

Molecular Formula
C4H6N2S
SMILES
C=CC1=CSNN1
InChI
InChI=1S/C4H6N2S/c1-2-4-3-7-6-5-4/h2-3,5-6H,1H2
InChIKey
OCFITHDNYNRQPC-UHFFFAOYSA-N
Compound name
4-ethenyl-2,3-dihydrothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

114.02517 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 120.9
[M+Na]+ 137.01439 129.5
[M-H]- 113.01789 119.4
[M+NH4]+ 132.05899 141.9
[M+K]+ 152.98833 126.1
[M+H-H2O]+ 97.022430 115.3
[M+HCOO]- 159.02337 135.8
[M+CH3COO]- 173.03902 159.9
[M+Na-2H]- 134.99984 123.5
[M]+ 114.02462 117.2
[M]- 114.02572 117.2
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.