CID 15906629

175136-68-2

Structural Information

Molecular Formula
C4H3N3S
SMILES
CC1=C(SN=N1)C#N
InChI
InChI=1S/C4H3N3S/c1-3-4(2-5)8-7-6-3/h1H3
InChIKey
SSRVAYBDOKEBHG-UHFFFAOYSA-N
Compound name
4-methylthiadiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

125.00477 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.01205 122.0
[M+Na]+ 147.99399 134.4
[M-H]- 123.99749 123.9
[M+NH4]+ 143.03859 142.1
[M+K]+ 163.96793 133.2
[M+H-H2O]+ 108.00203 109.0
[M+HCOO]- 170.00297 137.6
[M+CH3COO]- 184.01862 181.6
[M+Na-2H]- 145.97944 125.8
[M]+ 125.00422 119.2
[M]- 125.00532 119.2
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

patents stripe