CID 21183363

4-methyl-1,2,3-thiadiazol-5-amine

Structural Information

Molecular Formula
C3H5N3S
SMILES
CC1=C(SN=N1)N
InChI
InChI=1S/C3H5N3S/c1-2-3(4)7-6-5-2/h4H2,1H3
InChIKey
SFSIEYMUSZBOJK-UHFFFAOYSA-N
Compound name
4-methylthiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

115.02042 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.02770 117.8
[M+Na]+ 138.00964 128.5
[M-H]- 114.01314 119.4
[M+NH4]+ 133.05424 140.1
[M+K]+ 153.98358 126.8
[M+H-H2O]+ 98.017680 111.7
[M+HCOO]- 160.01862 137.6
[M+CH3COO]- 174.03427 167.8
[M+Na-2H]- 135.99509 121.7
[M]+ 115.01987 118.2
[M]- 115.02097 118.2
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