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]+ 156.05899 129.1
[M+Na]+ 178.04093 140.2
[M-H]- 154.04443 134.1
[M+NH4]+ 173.08553 144.8
[M+K]+ 194.01487 136.3
[M+H-H2O]+ 138.04897 121.9
[M+HCOO]- 200.04991 148.7
[M+CH3COO]- 214.06556 142.6
[M+Na-2H]- 176.02638 132.1
[M]+ 155.05116 131.6
[M]- 155.05226 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.