CID 11970490

N-tert-butyl-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C6H11N3S
SMILES
CC(C)(C)NC1=NN=CS1
InChI
InChI=1S/C6H11N3S/c1-6(2,3)8-5-9-7-4-10-5/h4H,1-3H3,(H,8,9)
InChIKey
XNQTUNHFIIWKKQ-UHFFFAOYSA-N
Compound name
N-tert-butyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

157.06737 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.074646 133.0
[M+Na]+ 180.056588 142.0
[M-H]- 156.060094 134.7
[M+NH4]+ 175.101193 153.8
[M+K]+ 196.030528 140.4
[M+H-H2O]+ 140.064630 126.7
[M+HCOO]- 202.065571 151.0
[M+CH3COO]- 216.081221 176.1
[M+Na-2H]- 178.042036 137.8
[M]+ 157.06682142 134.5
[M]- 157.06791858 134.5
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