CID 86674740

2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine

Structural Information

Molecular Formula
C6H11N3S
SMILES
CC1=NSC(=N1)C(C)(C)N
InChI
InChI=1S/C6H11N3S/c1-4-8-5(10-9-4)6(2,3)7/h7H2,1-3H3
InChIKey
WLSVBJBZKCPURW-UHFFFAOYSA-N
Compound name
2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

157.06737 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.074646 132.9
[M+Na]+ 180.056588 142.6
[M-H]- 156.060094 134.4
[M+NH4]+ 175.101193 153.6
[M+K]+ 196.030528 140.6
[M+H-H2O]+ 140.064630 126.9
[M+HCOO]- 202.065571 150.2
[M+CH3COO]- 216.081221 177.2
[M+Na-2H]- 178.042036 136.0
[M]+ 157.06682142 133.9
[M]- 157.06791858 133.9
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.