CID 582451

5-hydrazinyl-3-methyl-1,2,4-thiadiazole dihydrochloride

Structural Information

Molecular Formula
C3H6N4S
SMILES
CC1=NSC(=N1)NN
InChI
InChI=1S/C3H6N4S/c1-2-5-3(6-4)8-7-2/h4H2,1H3,(H,5,6,7)
InChIKey
XTMSUZWMADSAPP-UHFFFAOYSA-N
Compound name
(3-methyl-1,2,4-thiadiazol-5-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

130.03131 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03859 121.0
[M+Na]+ 153.02053 130.7
[M-H]- 129.02403 122.5
[M+NH4]+ 148.06513 142.2
[M+K]+ 168.99447 128.8
[M+H-H2O]+ 113.02857 114.3
[M+HCOO]- 175.02951 141.7
[M+CH3COO]- 189.04516 172.7
[M+Na-2H]- 151.00598 125.5
[M]+ 130.03076 120.6
[M]- 130.03186 120.6
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