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

29
Patents

129.03607 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04335 122.3
[M+Na]+ 152.02529 131.7
[M-H]- 128.02879 125.5
[M+NH4]+ 147.06989 144.6
[M+K]+ 167.99923 131.7
[M+H-H2O]+ 112.03333 115.4
[M+HCOO]- 174.03427 142.9
[M+CH3COO]- 188.04992 174.0
[M+Na-2H]- 150.01074 126.7
[M]+ 129.03552 125.0
[M]- 129.03662 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