CID 80484090

3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C6H9N3S
SMILES
C1CC1CC2=NSC(=N2)N
InChI
InChI=1S/C6H9N3S/c7-6-8-5(9-10-6)3-4-1-2-4/h4H,1-3H2,(H2,7,8,9)
InChIKey
RSFRCXUEYUAELP-UHFFFAOYSA-N
Compound name
3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05171 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.058986 129.1
[M+Na]+ 178.040928 140.2
[M-H]- 154.044434 134.1
[M+NH4]+ 173.085533 144.8
[M+K]+ 194.014868 136.3
[M+H-H2O]+ 138.048970 121.9
[M+HCOO]- 200.049911 148.7
[M+CH3COO]- 214.065561 142.6
[M+Na-2H]- 176.026376 132.1
[M]+ 155.05116142 131.6
[M]- 155.05225858 131.6
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.