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]+ 126.012046 122.0
[M+Na]+ 147.993988 134.4
[M-H]- 123.997494 123.9
[M+NH4]+ 143.038593 142.1
[M+K]+ 163.967928 133.2
[M+H-H2O]+ 108.002030 109.0
[M+HCOO]- 170.002971 137.6
[M+CH3COO]- 184.018621 181.6
[M+Na-2H]- 145.979436 125.8
[M]+ 125.00422142 119.2
[M]- 125.00531858 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