CID 129981215

3-bromo-n,n-dimethyl-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C4H6BrN3S
SMILES
CN(C)C1=NC(=NS1)Br
InChI
InChI=1S/C4H6BrN3S/c1-8(2)4-6-3(5)7-9-4/h1-2H3
InChIKey
VQKUOYFCOBJJOW-UHFFFAOYSA-N
Compound name
3-bromo-N,N-dimethyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.94658 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.95386 124.6
[M+Na]+ 229.93580 138.7
[M-H]- 205.93930 130.9
[M+NH4]+ 224.98040 147.9
[M+K]+ 245.90974 129.0
[M+H-H2O]+ 189.94384 124.1
[M+HCOO]- 251.94478 143.3
[M+CH3COO]- 265.96043 185.4
[M+Na-2H]- 227.92125 130.6
[M]+ 206.94603 146.2
[M]- 206.94713 146.2
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

No patent data available for this compound.