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]+ 144.05899 126.6
[M+Na]+ 166.04093 136.5
[M-H]- 142.04443 130.0
[M+NH4]+ 161.08553 148.7
[M+K]+ 182.01487 136.1
[M+H-H2O]+ 126.04897 119.8
[M+HCOO]- 188.04991 146.8
[M+CH3COO]- 202.06556 178.1
[M+Na-2H]- 164.02638 129.8
[M]+ 143.05116 130.0
[M]- 143.05226 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