CID 79202176

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

Structural Information

Molecular Formula
C6H11N3OS
SMILES
CC(C)(C1=NSC(=N1)N)OC
InChI
InChI=1S/C6H11N3OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3,(H2,7,8,9)
InChIKey
XAFOXWPFKUIVSS-UHFFFAOYSA-N
Compound name
3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

173.06229 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06957 136.3
[M+Na]+ 196.05151 145.8
[M-H]- 172.05501 137.6
[M+NH4]+ 191.09611 156.2
[M+K]+ 212.02545 144.1
[M+H-H2O]+ 156.05955 130.0
[M+HCOO]- 218.06049 153.8
[M+CH3COO]- 232.07614 179.2
[M+Na-2H]- 194.03696 139.5
[M]+ 173.06174 138.6
[M]- 173.06284 138.6
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

patents stripe