CID 535836

1,3,4-thiadiazole, 2-(dimethylamino)-, hydrobromide

Structural Information

Molecular Formula
C4H7N3S
SMILES
CN(C)C1=NN=CS1
InChI
InChI=1S/C4H7N3S/c1-7(2)4-6-5-3-8-4/h3H,1-2H3
InChIKey
IYNKONFGPZNETL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

129.03607 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.043346 122.3
[M+Na]+ 152.025288 131.7
[M-H]- 128.028794 125.5
[M+NH4]+ 147.069893 144.6
[M+K]+ 167.999228 131.7
[M+H-H2O]+ 112.033330 115.4
[M+HCOO]- 174.034271 142.9
[M+CH3COO]- 188.049921 174.0
[M+Na-2H]- 150.010736 126.7
[M]+ 129.03552142 125.0
[M]- 129.03661858 125.0
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