CID 3047402

1,3,4-thiadiazole, 2-(dimethylamino)-5-methyl-, hydrochloride

Structural Information

Molecular Formula
C5H9N3S
SMILES
CC1=NN=C(S1)N(C)C
InChI
InChI=1S/C5H9N3S/c1-4-6-7-5(9-4)8(2)3/h1-3H3
InChIKey
BLWGGGOOIMHFRY-UHFFFAOYSA-N
Compound name
N,N,5-trimethyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

143.05171 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.058986 126.6
[M+Na]+ 166.040928 136.5
[M-H]- 142.044434 130.0
[M+NH4]+ 161.085533 148.7
[M+K]+ 182.014868 136.1
[M+H-H2O]+ 126.048970 119.8
[M+HCOO]- 188.049911 146.8
[M+CH3COO]- 202.065561 178.1
[M+Na-2H]- 164.026376 129.8
[M]+ 143.05116142 130.0
[M]- 143.05225858 130.0
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